5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C17H16N4O — CID 3235448

IUPAC5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C17H16N4O/c1-22-16-7-3-2-6-14(16)15-11-19-12-21-17(15)20-10-13-5-4-8-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyPIJUBFDFJODMNK-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.16
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3235448) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3235448
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C17H16N4O/c1-22-16-7-3-2-6-14(16)15-11-19-12-21-17(15)20-10-13-5-4-8-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyPIJUBFDFJODMNK-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-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3235448) is 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is COc1ccccc1-c1cncnc1NCc1cccnc1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is PIJUBFDFJODMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-16-7-3-2-6-14(16)15-11-19-12-21-17(15)20-10-13-5-4-8-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21).
What are the key properties of 5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-(2-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-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3235448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).