N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine

C113H114N38O5 — CID 158675406

IUPACN-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine
SMILESCC(C)c1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.CCc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.Cc1nnnn1-c1ccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)cc1.c1cc(-c2ccnc(Nc3ccc(-n4cnnn4)cc3)n2)cc(N2CCOCC2)c1.c1cc(-c2ccnc(Nc3ccc(-n4ncnn4)cc3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C25H27N7O.C24H25N7O.C22H22N8O.2C21H20N8O/c1-18(2)24-27-17-32(30-24)21-8-6-20(7-9-21)28-25-26-11-10-23(29-25)19-4-3-5-22(16-19)31-12-14-33-15-13-31;1-2-23-26-17-31(29-23)20-8-6-19(7-9-20)27-24-25-11-10-22(28-24)18-4-3-5-21(16-18)30-12-14-32-15-13-30;1-16-26-27-28-30(16)19-7-5-18(6-8-19)24-22-23-10-9-21(25-22)17-3-2-4-20(15-17)29-11-13-31-14-12-29;1-2-16(14-19(3-1)28-10-12-30-13-11-28)20-8-9-22-21(25-20)24-17-4-6-18(7-5-17)29-15-23-26-27-29;1-2-16(14-19(3-1)28-10-12-30-13-11-28)20-8-9-22-21(26-20)25-17-4-6-18(7-5-17)29-24-15-23-27-29/h3-11,16-18H,12-15H2,1-2H3,(H,26,28,29);3-11,16-17H,2,12-15H2,1H3,(H,25,27,28);2-10,15H,11-14H2,1H3,(H,23,24,25);1-9,14-15H,10-13H2,(H,22,24,25);1-9,14-15H,10-13H2,(H,22,25,26)
InChIKeyIELJXCXKBFWREM-UHFFFAOYSA-N
MW2084.42 g/mol
LogP16.70
Rot. Bonds27

About N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine

N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine (PubChem CID 158675406) has the molecular formula C113H114N38O5 and a molecular weight of 2084.42 g/mol. Its IUPAC name is N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine
PubChem CID158675406
Molecular FormulaC113H114N38O5
Molecular Weight2084.42 g/mol
Exact Mass2082.98
IUPAC NameN-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine
SMILESCC(C)c1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.CCc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.Cc1nnnn1-c1ccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)cc1.c1cc(-c2ccnc(Nc3ccc(-n4cnnn4)cc3)n2)cc(N2CCOCC2)c1.c1cc(-c2ccnc(Nc3ccc(-n4ncnn4)cc3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C25H27N7O.C24H25N7O.C22H22N8O.2C21H20N8O/c1-18(2)24-27-17-32(30-24)21-8-6-20(7-9-21)28-25-26-11-10-23(29-25)19-4-3-5-22(16-19)31-12-14-33-15-13-31;1-2-23-26-17-31(29-23)20-8-6-19(7-9-20)27-24-25-11-10-22(28-24)18-4-3-5-21(16-18)30-12-14-32-15-13-30;1-16-26-27-28-30(16)19-7-5-18(6-8-19)24-22-23-10-9-21(25-22)17-3-2-4-20(15-17)29-11-13-31-14-12-29;1-2-16(14-19(3-1)28-10-12-30-13-11-28)20-8-9-22-21(25-20)24-17-4-6-18(7-5-17)29-15-23-26-27-29;1-2-16(14-19(3-1)28-10-12-30-13-11-28)20-8-9-22-21(26-20)25-17-4-6-18(7-5-17)29-24-15-23-27-29/h3-11,16-18H,12-15H2,1-2H3,(H,26,28,29);3-11,16-17H,2,12-15H2,1H3,(H,25,27,28);2-10,15H,11-14H2,1H3,(H,23,24,25);1-9,14-15H,10-13H2,(H,22,24,25);1-9,14-15H,10-13H2,(H,22,25,26)
InChIKeyIELJXCXKBFWREM-UHFFFAOYSA-N
XLogP16.70
TPSA443.62 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.42
LogP ≤ 516.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(3-morpholinophenyl)pyrimidin-2-amine
CID 44627583
4-(3-Morpholinophenyl)-N-(4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)phenyl)pyrimidin-2-amine
CID 44627683
SR-3306
CID 57519510
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221587
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221590
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221698
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221699
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25222697
N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 25221807
4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 25222039
4-(3-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 25222588
N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 59587976

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine (CID 158675406) is N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine is CC(C)c1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.CCc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.Cc1nnnn1-c1ccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)cc1.c1cc(-c2ccnc(Nc3ccc(-n4cnnn4)cc3)n2)cc(N2CCOCC2)c1.c1cc(-c2ccnc(Nc3ccc(-n4ncnn4)cc3)n2)cc(N2CCOCC2)c1.
What is the InChIKey of N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine?
The InChIKey is IELJXCXKBFWREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O.C24H25N7O.C22H22N8O.2C21H20N8O/c1-18(2)24-27-17-32(30-24)21-8-6-20(7-9-21)28-25-26-11-10-23(29-25)19-4-3-5-22(16-19)31-12-14-33-15-13-31;1-2-23-26-17-31(29-23)20-8-6-19(7-9-20)27-24-25-11-10-22(28-24)18-4-3-5-21(16-18)30-12-14-32-15-13-30;1-16-26-27-28-30(16)19-7-5-18(6-8-19)24-22-23-10-9-21(25-22)17-3-2-4-20(15-17)29-11-13-31-14-12-29;1-2-16(14-19(3-1)28-10-12-30-13-11-28)20-8-9-22-21(25-20)24-17-4-6-18(7-5-17)29-15-23-26-27-29;1-2-16(14-19(3-1)28-10-12-30-13-11-28)20-8-9-22-21(26-20)25-17-4-6-18(7-5-17)29-24-15-23-27-29/h3-11,16-18H,12-15H2,1-2H3,(H,26,28,29);3-11,16-17H,2,12-15H2,1H3,(H,25,27,28);2-10,15H,11-14H2,1H3,(H,23,24,25);1-9,14-15H,10-13H2,(H,22,24,25);1-9,14-15H,10-13H2,(H,22,25,26).
What are the key properties of N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine?
N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine has a molecular weight of 2084.42 g/mol, XLogP of 16.70, 27 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-methyltetrazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-propan-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(tetrazol-2-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158675406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).