6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine

C13H22N4O — CID 114131306

IUPAC6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCC2CCOC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-12(14-3)16-10(2)17-13(9)15-6-4-11-5-7-18-8-11/h11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyJIQOYPZUNFJSHQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.97
Rot. Bonds5

About 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 114131306) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID114131306
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCC2CCOC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-12(14-3)16-10(2)17-13(9)15-6-4-11-5-7-18-8-11/h11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyJIQOYPZUNFJSHQ-UHFFFAOYSA-N
XLogP1.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]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 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine (CID 114131306) is 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine is CNc1nc(C)nc(NCCC2CCOC2)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is JIQOYPZUNFJSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(14-3)16-10(2)17-13(9)15-6-4-11-5-7-18-8-11/h11H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114131306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).