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

C9H14N4O2 — CID 61146099

IUPACN-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
SMILESCC(C)C(C)Nc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C9H14N4O2/c1-6(2)7(3)12-9-10-4-8(5-11-9)13(14)15/h4-7H,1-3H3,(H,10,11,12)
InChIKeyOSRJWLIYPODRLW-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.84
Rot. Bonds4

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

N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine (PubChem CID 61146099) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
PubChem CID61146099
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
SMILESCC(C)C(C)Nc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C9H14N4O2/c1-6(2)7(3)12-9-10-4-8(5-11-9)13(14)15/h4-7H,1-3H3,(H,10,11,12)
InChIKeyOSRJWLIYPODRLW-UHFFFAOYSA-N
XLogP1.84
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.84
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'}

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Related Compounds

2-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 61147205
N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 65048694
5-nitro-N-[1-(4-phenylphenyl)ethyl]pyrimidin-2-amine
CID 133467183
5-nitro-N-octan-2-ylpyrimidin-2-amine
CID 54958890
3-methyl-1-[(5-nitropyrimidin-2-yl)amino]butan-2-ol
CID 104626095
(2S,3S)-3-methyl-2-[(5-nitropyrimidin-2-yl)amino]pentanoic acid
CID 122050395
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-nitropyrimidin-2-amine
CID 99802727
N-[1-(3-bromophenyl)ethyl]-5-nitropyrimidin-2-amine
CID 61147524
5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 61147056
N-[(2S)-3-methylbutan-2-yl]-4-nitroaniline
CID 28826145
5-nitro-N-octan-4-ylpyrimidin-2-amine
CID 104626135
N-[1-(4-methylphenyl)propyl]-5-nitropyrimidin-2-amine
CID 133467239

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine (CID 61146099) is N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine is CC(C)C(C)Nc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
The InChIKey is OSRJWLIYPODRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(2)7(3)12-9-10-4-8(5-11-9)13(14)15/h4-7H,1-3H3,(H,10,11,12).
What are the key properties of N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine?
N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 61146099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).