N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine

C11H16N4O2 — CID 113434433

IUPACN-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine
SMILESCCC1(CNc2ncc([N+](=O)[O-])cn2)CCC1
InChIInChI=1S/C11H16N4O2/c1-2-11(4-3-5-11)8-14-10-12-6-9(7-13-10)15(16)17/h6-7H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyVISPKNPCJXXCKE-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.38
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine

N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine (PubChem CID 113434433) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine
PubChem CID113434433
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine
SMILESCCC1(CNc2ncc([N+](=O)[O-])cn2)CCC1
InChIInChI=1S/C11H16N4O2/c1-2-11(4-3-5-11)8-14-10-12-6-9(7-13-10)15(16)17/h6-7H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyVISPKNPCJXXCKE-UHFFFAOYSA-N
XLogP2.38
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.38
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-[1-[[(5-nitropyrimidin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162217
N-[(1-aminocyclobutyl)methyl]-5-nitropyrimidin-2-amine
CID 103353913
N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine
CID 103826198
1-[[(5-nitropyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450491
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine
CID 61212119
2-[(1-ethylcyclobutyl)methylamino]-3-nitropyridine-4-carbonitrile
CID 103764880
N-[(5-ethylthiophen-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 113434398
N-but-2-ynyl-5-nitropyrimidin-2-amine
CID 104626226
N-[(1-ethylcyclobutyl)methyl]-1-(3-nitrophenyl)methanamine
CID 113252692
3-bromo-N-[(1-ethylcyclopropyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 104576465
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-nitropyridin-2-amine
CID 103794691
5-nitro-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 61147355

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine (CID 113434433) is N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine is CCC1(CNc2ncc([N+](=O)[O-])cn2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine?
The InChIKey is VISPKNPCJXXCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-11(4-3-5-11)8-14-10-12-6-9(7-13-10)15(16)17/h6-7H,2-5,8H2,1H3,(H,12,13,14).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine?
N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine has a molecular weight of 236.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine is sourced from PubChem (CID 113434433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).