N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine

C12H18N4O3 — CID 82454720

IUPACN-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
SMILESCCc1nc(NC2CCCC2)c([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C12H18N4O3/c1-3-9-14-11(13-8-6-4-5-7-8)10(16(17)18)12(15-9)19-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPGQIRFTYOFLKQY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.31
Rot. Bonds5

About N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine

N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine (PubChem CID 82454720) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
PubChem CID82454720
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
SMILESCCc1nc(NC2CCCC2)c([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C12H18N4O3/c1-3-9-14-11(13-8-6-4-5-7-8)10(16(17)18)12(15-9)19-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPGQIRFTYOFLKQY-UHFFFAOYSA-N
XLogP2.31
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.31
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 N-cyclopentyl-2-ethyl-6-methoxy-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-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457012
N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454945
N-cyclohexyl-6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454688
2-tert-butyl-N-cyclopentyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82456948
2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454741
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 82455103
6-chloro-N-cyclopropyl-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82459091
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770
N-butyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454935
N-cyclohexyl-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 23487801
6-butoxy-N-butyl-2-ethyl-5-nitropyrimidin-4-amine
CID 82455056

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine (CID 82454720) is N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine is CCc1nc(NC2CCCC2)c([N+](=O)[O-])c(OC)n1.
What is the InChIKey of N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
The InChIKey is PGQIRFTYOFLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-9-14-11(13-8-6-4-5-7-8)10(16(17)18)12(15-9)19-2/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82454720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).