6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine

C16H20ClN3 — CID 106900577

IUPAC6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(CC)nc(Cl)c2C)cc1
InChIInChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyXQAAGPVUZHFQSY-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.18
Rot. Bonds5

About 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine

6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 106900577) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
PubChem CID106900577
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(CC)nc(Cl)c2C)cc1
InChIInChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyXQAAGPVUZHFQSY-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-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-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine (CID 106900577) is 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine is CCc1ccc(CNc2nc(CC)nc(Cl)c2C)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is XQAAGPVUZHFQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106900577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).