6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine

C16H19N3O2 — CID 63353878

IUPAC6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H19N3O2/c1-17-15-9-12(10-4-5-10)18-16(19-15)11-6-7-13(20-2)14(8-11)21-3/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyVUJUZZYQRQURKK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.08
Rot. Bonds5

About 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine

6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 63353878) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID63353878
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H19N3O2/c1-17-15-9-12(10-4-5-10)18-16(19-15)11-6-7-13(20-2)14(8-11)21-3/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyVUJUZZYQRQURKK-UHFFFAOYSA-N
XLogP3.08
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine (CID 63353878) is 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is VUJUZZYQRQURKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-15-9-12(10-4-5-10)18-16(19-15)11-6-7-13(20-2)14(8-11)21-3/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63353878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).