6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

C20H17ClN6 — CID 19152879

IUPAC6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C20H17ClN6/c21-15-7-2-1-5-13(15)11-24-19-18(22)20(26-12-25-19)27-17-9-3-8-16-14(17)6-4-10-23-16/h1-10,12H,11,22H2,(H2,24,25,26,27)
InChIKeyTXVFRXRYOSXWSY-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.62
Rot. Bonds5

About 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (PubChem CID 19152879) has the molecular formula C20H17ClN6 and a molecular weight of 376.85 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
PubChem CID19152879
Molecular FormulaC20H17ClN6
Molecular Weight376.85 g/mol
Exact Mass376.12
IUPAC Name6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C20H17ClN6/c21-15-7-2-1-5-13(15)11-24-19-18(22)20(26-12-25-19)27-17-9-3-8-16-14(17)6-4-10-23-16/h1-10,12H,11,22H2,(H2,24,25,26,27)
InChIKeyTXVFRXRYOSXWSY-UHFFFAOYSA-N
XLogP4.62
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147870
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22545033
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
N-[(2-chlorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 110432331
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
4-N-(4-bromophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19148860
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (CID 19152879) is 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is Nc1c(NCc2ccccc2Cl)ncnc1Nc1cccc2ncccc12.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The InChIKey is TXVFRXRYOSXWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6/c21-15-7-2-1-5-13(15)11-24-19-18(22)20(26-12-25-19)27-17-9-3-8-16-14(17)6-4-10-23-16/h1-10,12H,11,22H2,(H2,24,25,26,27).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine has a molecular weight of 376.85 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19152879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).