5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C17H16N4O — CID 3234743

IUPAC5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCc2cccnc2)c1
InChIInChI=1S/C17H16N4O/c1-22-15-6-2-5-14(8-15)16-11-19-12-21-17(16)20-10-13-4-3-7-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyNOMCWFDIYYYENY-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.16
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3234743) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3234743
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCc2cccnc2)c1
InChIInChI=1S/C17H16N4O/c1-22-15-6-2-5-14(8-15)16-11-19-12-21-17(16)20-10-13-4-3-7-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyNOMCWFDIYYYENY-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3234743) is 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is COc1cccc(-c2cncnc2NCc2cccnc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is NOMCWFDIYYYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-6-2-5-14(8-15)16-11-19-12-21-17(16)20-10-13-4-3-7-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21).
What are the key properties of 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).