2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine

C13H22N4O — CID 82736034

IUPAC2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NC2CCOC2C)n1
InChIInChI=1S/C13H22N4O/c1-5-11-16-12(14-4)8(2)13(17-11)15-10-6-7-18-9(10)3/h9-10H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyUSWNFBRRUZFJNK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.98
Rot. Bonds4

About 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine

2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 82736034) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
PubChem CID82736034
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NC2CCOC2C)n1
InChIInChI=1S/C13H22N4O/c1-5-11-16-12(14-4)8(2)13(17-11)15-10-6-7-18-9(10)3/h9-10H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyUSWNFBRRUZFJNK-UHFFFAOYSA-N
XLogP1.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine (CID 82736034) is 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NC2CCOC2C)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is USWNFBRRUZFJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-11-16-12(14-4)8(2)13(17-11)15-10-6-7-18-9(10)3/h9-10H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 82736034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).