N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine

C20H16N4 — CID 44820377

IUPACN-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3cnc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H16N4/c1-14-6-8-17(9-7-14)23-20-21-11-10-19(24-20)16-12-15-4-2-3-5-18(15)22-13-16/h2-13H,1H3,(H,21,23,24)
InChIKeyDLSCDFDGOMZHSD-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.74
Rot. Bonds3

About N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine

N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine (PubChem CID 44820377) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine
PubChem CID44820377
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3cnc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H16N4/c1-14-6-8-17(9-7-14)23-20-21-11-10-19(24-20)16-12-15-4-2-3-5-18(15)22-13-16/h2-13H,1H3,(H,21,23,24)
InChIKeyDLSCDFDGOMZHSD-UHFFFAOYSA-N
XLogP4.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine (CID 44820377) is N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine is Cc1ccc(Nc2nccc(-c3cnc4ccccc4c3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine?
The InChIKey is DLSCDFDGOMZHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-14-6-8-17(9-7-14)23-20-21-11-10-19(24-20)16-12-15-4-2-3-5-18(15)22-13-16/h2-13H,1H3,(H,21,23,24).
What are the key properties of N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine?
N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44820377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).