1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine

C11H18N4O2 — CID 63202169

IUPAC1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C11H18N4O2/c1-3-5-12-9(4-2)6-11-13-7-10(8-14-11)15(16)17/h7-9,12H,3-6H2,1-2H3
InChIKeyVYVXESINFKTYBF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.71
Rot. Bonds7

About 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine

1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine (PubChem CID 63202169) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine
PubChem CID63202169
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C11H18N4O2/c1-3-5-12-9(4-2)6-11-13-7-10(8-14-11)15(16)17/h7-9,12H,3-6H2,1-2H3
InChIKeyVYVXESINFKTYBF-UHFFFAOYSA-N
XLogP1.71
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-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-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine
CID 63199835
2-(5-nitropyrimidin-2-yl)-N-propylpentan-3-amine
CID 55222302
1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine
CID 55163945
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222
1-(2-methyl-6-nitrophenyl)-N-propylbutan-2-amine
CID 115554126
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine
CID 63199611
1-(6-methoxy-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 115323472
1-(5-nitropyrimidin-2-yl)propan-2-one
CID 63198896
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine (CID 63202169) is 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine is CCCNC(CC)Cc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine?
The InChIKey is VYVXESINFKTYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-5-12-9(4-2)6-11-13-7-10(8-14-11)15(16)17/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine?
1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine has a molecular weight of 238.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63202169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).