N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

C17H16N4O — CID 3232989

IUPACN-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C17H16N4O/c1-22-15-7-3-2-5-13(15)12-20-16-8-10-19-17(21-16)14-6-4-9-18-11-14/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyOFOSFALXVLYYKQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.16
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3232989) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID3232989
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C17H16N4O/c1-22-15-7-3-2-5-13(15)12-20-16-8-10-19-17(21-16)14-6-4-9-18-11-14/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyOFOSFALXVLYYKQ-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 N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 3232989) is N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is COc1ccccc1CNc1ccnc(-c2cccnc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is OFOSFALXVLYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-7-3-2-5-13(15)12-20-16-8-10-19-17(21-16)14-6-4-9-18-11-14/h2-11H,12H2,1H3,(H,19,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-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 N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3232989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).