6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine

C12H17N5O — CID 81173601

IUPAC6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccon2)nc(CC)n1
InChIInChI=1S/C12H17N5O/c1-3-10-15-11(13-4-2)7-12(16-10)14-8-9-5-6-18-17-9/h5-7H,3-4,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyAGBFYPNPCZEVQG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.07
Rot. Bonds6

About 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 81173601) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID81173601
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccon2)nc(CC)n1
InChIInChI=1S/C12H17N5O/c1-3-10-15-11(13-4-2)7-12(16-10)14-8-9-5-6-18-17-9/h5-7H,3-4,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyAGBFYPNPCZEVQG-UHFFFAOYSA-N
XLogP2.07
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-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

6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81174173
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 81174099
4-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 80702925
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
6-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazin-2-amine
CID 130710877
N-ethyl-1,2-oxazol-3-amine;hydrochloride
CID 89422608
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934313
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (CID 81173601) is 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1cc(NCc2ccon2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is AGBFYPNPCZEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-10-15-11(13-4-2)7-12(16-10)14-8-9-5-6-18-17-9/h5-7H,3-4,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 81173601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).