2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C16H19N3O — CID 79980046

IUPAC2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2cccc(C3CC3)c2)n1
InChIInChI=1S/C16H19N3O/c1-17-15-9-14(10-20-2)18-16(19-15)13-5-3-4-12(8-13)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18,19)
InChIKeyVFCBMAYDDNMIIU-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.21
Rot. Bonds5

About 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 79980046) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID79980046
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2cccc(C3CC3)c2)n1
InChIInChI=1S/C16H19N3O/c1-17-15-9-14(10-20-2)18-16(19-15)13-5-3-4-12(8-13)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18,19)
InChIKeyVFCBMAYDDNMIIU-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 79980046) is 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(-c2cccc(C3CC3)c2)n1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is VFCBMAYDDNMIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-17-15-9-14(10-20-2)18-16(19-15)13-5-3-4-12(8-13)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79980046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).