N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine

C20H16N4 — CID 162654149

IUPACN-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
SMILESCc1cc(Nc2ccc3ncccc3c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4/c1-14-12-19(24-20(22-14)15-6-3-2-4-7-15)23-17-9-10-18-16(13-17)8-5-11-21-18/h2-13H,1H3,(H,22,23,24)
InChIKeyOHTBOWYUOVCMTB-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.74
Rot. Bonds3

About N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine

N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine (PubChem CID 162654149) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine.

Molecular Properties

Compound NameN-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
PubChem CID162654149
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
SMILESCc1cc(Nc2ccc3ncccc3c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4/c1-14-12-19(24-20(22-14)15-6-3-2-4-7-15)23-17-9-10-18-16(13-17)8-5-11-21-18/h2-13H,1H3,(H,22,23,24)
InChIKeyOHTBOWYUOVCMTB-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-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine?
The IUPAC name of N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine (CID 162654149) is N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine.
What is the SMILES notation for N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine?
The canonical SMILES for N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine is Cc1cc(Nc2ccc3ncccc3c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine?
The InChIKey is OHTBOWYUOVCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-14-12-19(24-20(22-14)15-6-3-2-4-7-15)23-17-9-10-18-16(13-17)8-5-11-21-18/h2-13H,1H3,(H,22,23,24).
What are the key properties of N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine?
N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-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-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine is sourced from PubChem (CID 162654149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).