N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine

C27H25N9OS — CID 59507574

IUPACN-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1c(-c2ccc(Nc3ncc(-c4ccccc4)s3)nc2)nc(N2CCOCC2)nc1-c1cnc(N)nc1
InChIInChI=1S/C27H25N9OS/c1-17-23(34-26(36-9-11-37-12-10-36)35-24(17)20-14-30-25(28)31-15-20)19-7-8-22(29-13-19)33-27-32-16-21(38-27)18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H2,28,30,31)(H,29,32,33)
InChIKeyLCOTVZRWIDEJGJ-UHFFFAOYSA-N
MW523.63 g/mol
LogP4.59
Rot. Bonds6

About N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine

N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine (PubChem CID 59507574) has the molecular formula C27H25N9OS and a molecular weight of 523.63 g/mol. Its IUPAC name is N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
PubChem CID59507574
Molecular FormulaC27H25N9OS
Molecular Weight523.63 g/mol
Exact Mass523.19
IUPAC NameN-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1c(-c2ccc(Nc3ncc(-c4ccccc4)s3)nc2)nc(N2CCOCC2)nc1-c1cnc(N)nc1
InChIInChI=1S/C27H25N9OS/c1-17-23(34-26(36-9-11-37-12-10-36)35-24(17)20-14-30-25(28)31-15-20)19-7-8-22(29-13-19)33-27-32-16-21(38-27)18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H2,28,30,31)(H,29,32,33)
InChIKeyLCOTVZRWIDEJGJ-UHFFFAOYSA-N
XLogP4.59
TPSA127.86 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 68917549
5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979013
ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 143591666
1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
CID 67221249
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine
CID 91139873
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 59507556
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioic S-acid;benzamide
CID 87380318
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
4-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-5-amine
CID 59507841

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine (CID 59507574) is N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine is Cc1c(-c2ccc(Nc3ncc(-c4ccccc4)s3)nc2)nc(N2CCOCC2)nc1-c1cnc(N)nc1.
What is the InChIKey of N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is LCOTVZRWIDEJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9OS/c1-17-23(34-26(36-9-11-37-12-10-36)35-24(17)20-14-30-25(28)31-15-20)19-7-8-22(29-13-19)33-27-32-16-21(38-27)18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H2,28,30,31)(H,29,32,33).
What are the key properties of N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 523.63 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59507574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).