N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine

C16H14N4O — CID 14347071

IUPACN-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H14N4O/c1-21-14-4-2-3-13(11-14)19-16-18-10-7-15(20-16)12-5-8-17-9-6-12/h2-11H,1H3,(H,18,19,20)
InChIKeyCGYIYSZHAZAHBP-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.29
Rot. Bonds4

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

N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 14347071) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID14347071
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H14N4O/c1-21-14-4-2-3-13(11-14)19-16-18-10-7-15(20-16)12-5-8-17-9-6-12/h2-11H,1H3,(H,18,19,20)
InChIKeyCGYIYSZHAZAHBP-UHFFFAOYSA-N
XLogP3.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine (CID 14347071) is N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine is COc1cccc(Nc2nccc(-c3ccncc3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is CGYIYSZHAZAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-21-14-4-2-3-13(11-14)19-16-18-10-7-15(20-16)12-5-8-17-9-6-12/h2-11H,1H3,(H,18,19,20).
What are the key properties of N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 278.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 14347071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).