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

C16H17N5O — CID 112865483

IUPAC4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(Nc2cc(C)on2)ncn1
InChIInChI=1S/C16H17N5O/c1-3-21(13-7-5-4-6-8-13)16-10-14(17-11-18-16)19-15-9-12(2)22-20-15/h4-11H,3H2,1-2H3,(H,17,18,19,20)
InChIKeySMHDTPMHYVMVFF-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.67
Rot. Bonds5

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

4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112865483) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112865483
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(Nc2cc(C)on2)ncn1
InChIInChI=1S/C16H17N5O/c1-3-21(13-7-5-4-6-8-13)16-10-14(17-11-18-16)19-15-9-12(2)22-20-15/h4-11H,3H2,1-2H3,(H,17,18,19,20)
InChIKeySMHDTPMHYVMVFF-UHFFFAOYSA-N
XLogP3.67
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-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-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112867195
4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112866961
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 23478134
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863632
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine (CID 112865483) is 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(Nc2cc(C)on2)ncn1.
What is the InChIKey of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is SMHDTPMHYVMVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-21(13-7-5-4-6-8-13)16-10-14(17-11-18-16)19-15-9-12(2)22-20-15/h4-11H,3H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 295.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112865483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).