6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine

C15H16ClN5O2 — CID 22532107

IUPAC6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1NC1CCCC1
InChIInChI=1S/C15H16ClN5O2/c16-11-7-3-4-8-12(11)20-15-13(21(22)23)14(17-9-18-15)19-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,17,18,19,20)
InChIKeyFNIFUNHRRWCUPC-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.14
Rot. Bonds5

About 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine

6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine (PubChem CID 22532107) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
PubChem CID22532107
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1NC1CCCC1
InChIInChI=1S/C15H16ClN5O2/c16-11-7-3-4-8-12(11)20-15-13(21(22)23)14(17-9-18-15)19-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,17,18,19,20)
InChIKeyFNIFUNHRRWCUPC-UHFFFAOYSA-N
XLogP4.14
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-cycloheptyl-6-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530998
4-N-cyclohexyl-6-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487733
4-N-cyclohexyl-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487762
4-N-cyclopentyl-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531987
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
methyl 2-[[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 23487728
N-(2-chlorophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492457
4-N-(2-chlorophenyl)-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22532025
6-N-(4-bromophenyl)-4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532027
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
6-N-(2-chlorophenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527235
4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528038

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine (CID 22532107) is 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1NC1CCCC1.
What is the InChIKey of 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
The InChIKey is FNIFUNHRRWCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-11-7-3-4-8-12(11)20-15-13(21(22)23)14(17-9-18-15)19-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,17,18,19,20).
What are the key properties of 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine has a molecular weight of 333.78 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 22532107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).