N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine

C11H18N4O3 — CID 82458138

IUPACN-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-5-12-10-9(15(16)17)11(18-4)14-8(13-10)6-7(2)3/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyGIAQCWMBJFWVFW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.02
Rot. Bonds6

About N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine

N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine (PubChem CID 82458138) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
PubChem CID82458138
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-5-12-10-9(15(16)17)11(18-4)14-8(13-10)6-7(2)3/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyGIAQCWMBJFWVFW-UHFFFAOYSA-N
XLogP2.02
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.02
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-ethyl-6-methoxy-2-(2-methylpropyl)-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

2-(2-methylpropyl)-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82458177
6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454687
6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82458183
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 82459135
N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454720
4-N-tert-butyl-6-N-ethyl-2-methoxy-5-nitropyrimidine-4,6-diamine
CID 21400881
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454741
6-chloro-N-ethyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 21400867
N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine (CID 82458138) is N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine is CCNc1nc(CC(C)C)nc(OC)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The InChIKey is GIAQCWMBJFWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-5-12-10-9(15(16)17)11(18-4)14-8(13-10)6-7(2)3/h7H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine?
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82458138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).