6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine

C11H18N4O3 — CID 82455020

IUPAC6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)COc1nc(C(C)C)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-6(2)5-18-11-8(15(16)17)9(12)13-10(14-11)7(3)4/h6-7H,5H2,1-4H3,(H2,12,13,14)
InChIKeyPWLZCMUUQAZSPB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.13
Rot. Bonds5

About 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine

6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82455020) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine
PubChem CID82455020
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)COc1nc(C(C)C)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-6(2)5-18-11-8(15(16)17)9(12)13-10(14-11)7(3)4/h6-7H,5H2,1-4H3,(H2,12,13,14)
InChIKeyPWLZCMUUQAZSPB-UHFFFAOYSA-N
XLogP2.13
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.13
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-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-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

6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82458183
N-butan-2-yl-6-ethoxy-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82454873
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454994
6-(2-methylpropoxy)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454610
6-butoxy-N-tert-butyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82455079
3-(2-methylpropoxy)-2-nitroaniline
CID 80860372
2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454741
6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454704
5-bromo-3-(2-methylpropoxy)pyrazin-2-amine
CID 46942042
2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82458912
3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
CID 166995843

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine (CID 82455020) is 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine is CC(C)COc1nc(C(C)C)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is PWLZCMUUQAZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(2)5-18-11-8(15(16)17)9(12)13-10(14-11)7(3)4/h6-7H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine?
6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82455020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).