6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine

C11H12ClN3O — CID 63729632

IUPAC6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)Cc1ccoc1
InChIInChI=1S/C11H12ClN3O/c1-8-10(12)13-7-14-11(8)15(2)5-9-3-4-16-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyAWJZQBQWPAYGEL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine

6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 63729632) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID63729632
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)Cc1ccoc1
InChIInChI=1S/C11H12ClN3O/c1-8-10(12)13-7-14-11(8)15(2)5-9-3-4-16-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyAWJZQBQWPAYGEL-UHFFFAOYSA-N
XLogP2.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine 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-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine (CID 63729632) is 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine is Cc1c(Cl)ncnc1N(C)Cc1ccoc1.
What is the InChIKey of 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is AWJZQBQWPAYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-10(12)13-7-14-11(8)15(2)5-9-3-4-16-6-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63729632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).