4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine

C21H19N5O — CID 112866961

IUPAC4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(N(Cc3ccccc3)c3ccccc3)ncn2)no1
InChIInChI=1S/C21H19N5O/c1-16-12-20(25-27-16)24-19-13-21(23-15-22-19)26(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15H,14H2,1H3,(H,22,23,24,25)
InChIKeyJCTNSLVJQRYTRL-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.85
Rot. Bonds6

About 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine

4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112866961) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112866961
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(N(Cc3ccccc3)c3ccccc3)ncn2)no1
InChIInChI=1S/C21H19N5O/c1-16-12-20(25-27-16)24-19-13-21(23-15-22-19)26(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15H,14H2,1H3,(H,22,23,24,25)
InChIKeyJCTNSLVJQRYTRL-UHFFFAOYSA-N
XLogP4.85
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112867195
4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112855406
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863632
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
N-[(4-methoxyphenyl)methyl]-5-methyl-N-phenyl-1,2-oxazol-3-amine
CID 91053998
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 23478134

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine (CID 112866961) is 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine is Cc1cc(Nc2cc(N(Cc3ccccc3)c3ccccc3)ncn2)no1.
What is the InChIKey of 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is JCTNSLVJQRYTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-16-12-20(25-27-16)24-19-13-21(23-15-22-19)26(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15H,14H2,1H3,(H,22,23,24,25).
What are the key properties of 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 357.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112866961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).