6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine

C21H19N5 — CID 112859132

IUPAC6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(Nc3cccc4cccnc34)ncn2)c1
InChIInChI=1S/C21H19N5/c1-15-5-2-6-16(11-15)13-23-19-12-20(25-14-24-19)26-18-9-3-7-17-8-4-10-22-21(17)18/h2-12,14H,13H2,1H3,(H2,23,24,25,26)
InChIKeyRKYVQHBGYFMTSE-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.69
Rot. Bonds5

About 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine

6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine (PubChem CID 112859132) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
PubChem CID112859132
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(Nc3cccc4cccnc34)ncn2)c1
InChIInChI=1S/C21H19N5/c1-15-5-2-6-16(11-15)13-23-19-12-20(25-14-24-19)26-18-9-3-7-17-8-4-10-22-21(17)18/h2-12,14H,13H2,1H3,(H2,23,24,25,26)
InChIKeyRKYVQHBGYFMTSE-UHFFFAOYSA-N
XLogP4.69
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112862636
6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112858694
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112859143
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine (CID 112859132) is 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine is Cc1cccc(CNc2cc(Nc3cccc4cccnc34)ncn2)c1.
What is the InChIKey of 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The InChIKey is RKYVQHBGYFMTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-15-5-2-6-16(11-15)13-23-19-12-20(25-14-24-19)26-18-9-3-7-17-8-4-10-22-21(17)18/h2-12,14H,13H2,1H3,(H2,23,24,25,26).
What are the key properties of 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine has a molecular weight of 341.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).