2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

C23H27N5O — CID 112873778

IUPAC2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2)cc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C23H27N5O/c1-18-25-22(24-12-11-19-7-3-2-4-8-19)17-23(26-18)27-20-9-5-6-10-21(20)28-13-15-29-16-14-28/h2-10,17H,11-16H2,1H3,(H2,24,25,26,27)
InChIKeyVQGLONIODNXQLB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.02
Rot. Bonds7

About 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112873778) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112873778
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2)cc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C23H27N5O/c1-18-25-22(24-12-11-19-7-3-2-4-8-19)17-23(26-18)27-20-9-5-6-10-21(20)28-13-15-29-16-14-28/h2-10,17H,11-16H2,1H3,(H2,24,25,26,27)
InChIKeyVQGLONIODNXQLB-UHFFFAOYSA-N
XLogP4.02
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907068
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873789
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (CID 112873778) is 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is Cc1nc(NCCc2ccccc2)cc(Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is VQGLONIODNXQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-18-25-22(24-12-11-19-7-3-2-4-8-19)17-23(26-18)27-20-9-5-6-10-21(20)28-13-15-29-16-14-28/h2-10,17H,11-16H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 389.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).