6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine

C10H13ClN4O3 — CID 82459022

IUPAC6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
SMILESCOCCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN4O3/c1-18-5-4-12-10-7(15(16)17)8(11)13-9(14-10)6-2-3-6/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyRAGBSKNTEKPGCO-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.97
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine (PubChem CID 82459022) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
PubChem CID82459022
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
SMILESCOCCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN4O3/c1-18-5-4-12-10-7(15(16)17)8(11)13-9(14-10)6-2-3-6/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyRAGBSKNTEKPGCO-UHFFFAOYSA-N
XLogP1.97
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-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-butyl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459009
6-chloro-2-cyclopropyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82459024
2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82458912
N-butan-2-yl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459020
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018
6-chloro-N-cyclopropyl-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82459091
N-(2-cyclopropyl-6-ethoxy-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82458878
2-chloro-N-(2-methoxyethyl)-3-nitropyridin-4-amine
CID 87404808
2-tert-butyl-6-methoxy-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82456953
methyl 2,6-bis(2-methoxyethylamino)-5-nitropyrimidine-4-carboxylate
CID 122154365
6-chloro-2-(methoxymethyl)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82459109
N-benzyl-2-cyclopropyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82458864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine (CID 82459022) is 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine is COCCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
The InChIKey is RAGBSKNTEKPGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-18-5-4-12-10-7(15(16)17)8(11)13-9(14-10)6-2-3-6/h6H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine has a molecular weight of 272.69 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82459022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).