[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine

C17H16N4O — CID 68917587

IUPAC[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine
SMILESCOc1ccccc1-c1cc(-c2cccnc2CN)ncn1
InChIInChI=1S/C17H16N4O/c1-22-17-7-3-2-5-13(17)15-9-14(20-11-21-15)12-6-4-8-19-16(12)10-18/h2-9,11H,10,18H2,1H3
InChIKeyUACVVCKZNSVWTL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.67
Rot. Bonds4

About [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine

[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine (PubChem CID 68917587) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine
PubChem CID68917587
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine
SMILESCOc1ccccc1-c1cc(-c2cccnc2CN)ncn1
InChIInChI=1S/C17H16N4O/c1-22-17-7-3-2-5-13(17)15-9-14(20-11-21-15)12-6-4-8-19-16(12)10-18/h2-9,11H,10,18H2,1H3
InChIKeyUACVVCKZNSVWTL-UHFFFAOYSA-N
XLogP2.67
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine (CID 68917587) is [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine is COc1ccccc1-c1cc(-c2cccnc2CN)ncn1.
What is the InChIKey of [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine?
The InChIKey is UACVVCKZNSVWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-17-7-3-2-5-13(17)15-9-14(20-11-21-15)12-6-4-8-19-16(12)10-18/h2-9,11H,10,18H2,1H3.
What are the key properties of [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine?
[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine has a molecular weight of 292.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 68917587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).