2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

C17H19N5O2 — CID 112918669

IUPAC2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C17H19N5O2/c1-11-8-15(20-16-9-12(2)24-22-16)21-17(19-11)18-10-13-4-6-14(23-3)7-5-13/h4-9H,10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyNHHBBYZCXNBQRO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.45
Rot. Bonds6

About 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 112918669) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
PubChem CID112918669
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C17H19N5O2/c1-11-8-15(20-16-9-12(2)24-22-16)21-17(19-11)18-10-13-4-6-14(23-3)7-5-13/h4-9H,10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyNHHBBYZCXNBQRO-UHFFFAOYSA-N
XLogP3.45
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112922714
4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918596
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918617
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908076
4-N-(3-methoxyphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916560
2-N-(2,6-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918471
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918650
3-[[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112918663
2-N-(3,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918469
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
2-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918506

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (CID 112918669) is 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is COc1ccc(CNc2nc(C)cc(Nc3cc(C)on3)n2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is NHHBBYZCXNBQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-8-15(20-16-9-12(2)24-22-16)21-17(19-11)18-10-13-4-6-14(23-3)7-5-13/h4-9H,10H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 325.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112918669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).