N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine

C10H16N4O3 — CID 65048694

IUPACN-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
SMILESCOCC(Nc1ncc([N+](=O)[O-])cn1)C(C)C
InChIInChI=1S/C10H16N4O3/c1-7(2)9(6-17-3)13-10-11-4-8(5-12-10)14(15)16/h4-5,7,9H,6H2,1-3H3,(H,11,12,13)
InChIKeyIMEPMPKBTKHVJG-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.47
Rot. Bonds6

About N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine

N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine (PubChem CID 65048694) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
PubChem CID65048694
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
SMILESCOCC(Nc1ncc([N+](=O)[O-])cn1)C(C)C
InChIInChI=1S/C10H16N4O3/c1-7(2)9(6-17-3)13-10-11-4-8(5-12-10)14(15)16/h4-5,7,9H,6H2,1-3H3,(H,11,12,13)
InChIKeyIMEPMPKBTKHVJG-UHFFFAOYSA-N
XLogP1.47
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.47
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-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-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

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
CID 65048689
N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 61146099
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-5-nitroimidazol-4-amine
CID 65048443
N-(1-methoxy-3-methylbutan-2-yl)-3-nitro-5-propoxyaniline
CID 80732434
N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
CID 103964097
(2S,3S)-3-methyl-2-[(5-nitropyrimidin-2-yl)amino]pentanoic acid
CID 122050395
2-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 61147205
N-(1-methoxy-3-methylbutan-2-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 65048445
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine
CID 103079967
3-methyl-1-[(5-nitropyrimidin-2-yl)amino]butan-2-ol
CID 104626095
5-nitro-N-octan-2-ylpyrimidin-2-amine
CID 54958890
N-[3-(2-methoxyethoxy)propyl]-5-nitropyrimidin-2-amine
CID 113434393

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine (CID 65048694) is N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine is COCC(Nc1ncc([N+](=O)[O-])cn1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
The InChIKey is IMEPMPKBTKHVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(2)9(6-17-3)13-10-11-4-8(5-12-10)14(15)16/h4-5,7,9H,6H2,1-3H3,(H,11,12,13).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine has a molecular weight of 240.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 65048694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).