2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine

C14H12ClN5 — CID 59627820

IUPAC2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cnc(Cl)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C14H12ClN5/c15-14-19-8-11(16)13(20-14)18-7-9-3-4-12-10(6-9)2-1-5-17-12/h1-6,8H,7,16H2,(H,18,19,20)
InChIKeyPMCMZUXDCLVXOH-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.87
Rot. Bonds3

About 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine

2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 59627820) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
PubChem CID59627820
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cnc(Cl)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C14H12ClN5/c15-14-19-8-11(16)13(20-14)18-7-9-3-4-12-10(6-9)2-1-5-17-12/h1-6,8H,7,16H2,(H,18,19,20)
InChIKeyPMCMZUXDCLVXOH-UHFFFAOYSA-N
XLogP2.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
CID 86671447
6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372035
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine;hydron;chloride
CID 87400674
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
CID 139321582
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 58467912
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide
CID 171090525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine (CID 59627820) is 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine is Nc1cnc(Cl)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is PMCMZUXDCLVXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-14-19-8-11(16)13(20-14)18-7-9-3-4-12-10(6-9)2-1-5-17-12/h1-6,8H,7,16H2,(H,18,19,20).
What are the key properties of 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine?
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 285.74 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 59627820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).