6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine

C16H19N3O — CID 63354262

IUPAC6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2ccccc2OC)n1
InChIInChI=1S/C16H19N3O/c1-3-17-15-10-13(11-8-9-11)18-16(19-15)12-6-4-5-7-14(12)20-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyNQHKPMCTKNTIJY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.46
Rot. Bonds5

About 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 63354262) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID63354262
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2ccccc2OC)n1
InChIInChI=1S/C16H19N3O/c1-3-17-15-10-13(11-8-9-11)18-16(19-15)12-6-4-5-7-14(12)20-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyNQHKPMCTKNTIJY-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine (CID 63354262) is 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine is CCNc1cc(C2CC2)nc(-c2ccccc2OC)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is NQHKPMCTKNTIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-17-15-10-13(11-8-9-11)18-16(19-15)12-6-4-5-7-14(12)20-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63354262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).