6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine

C15H23N5O2 — CID 23489844

IUPAC6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NC2CCCC2)ncnc1N1CCCCCC1
InChIInChI=1S/C15H23N5O2/c21-20(22)13-14(18-12-7-3-4-8-12)16-11-17-15(13)19-9-5-1-2-6-10-19/h11-12H,1-10H2,(H,16,17,18)
InChIKeyGBDRFZPLZRMJJS-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.12
Rot. Bonds4

About 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine

6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine (PubChem CID 23489844) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine
PubChem CID23489844
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NC2CCCC2)ncnc1N1CCCCCC1
InChIInChI=1S/C15H23N5O2/c21-20(22)13-14(18-12-7-3-4-8-12)16-11-17-15(13)19-9-5-1-2-6-10-19/h11-12H,1-10H2,(H,16,17,18)
InChIKeyGBDRFZPLZRMJJS-UHFFFAOYSA-N
XLogP3.12
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
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'}

Analyze 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672
N-cyclopropyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine
CID 22003868
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitropyrimidin-4-amine
CID 23491131
5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23487470
4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
4-N-cycloheptyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526142
2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23489744
6-(benzimidazol-1-yl)-N-cycloheptyl-5-nitropyrimidin-4-amine
CID 22538897
6-(azepan-1-yl)-N-(4-chlorophenyl)-5-nitropyrimidin-4-amine
CID 23489763
N-hexadecyl-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489157
1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489697

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine (CID 23489844) is 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(NC2CCCC2)ncnc1N1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine?
The InChIKey is GBDRFZPLZRMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-20(22)13-14(18-12-7-3-4-8-12)16-11-17-15(13)19-9-5-1-2-6-10-19/h11-12H,1-10H2,(H,16,17,18).
What are the key properties of 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine?
6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23489844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).