N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine

C13H20N4O2 — CID 55069697

IUPACN-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine
SMILESCCC(Nc1ncc([N+](=O)[O-])cn1)C1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-2-12(10-6-4-3-5-7-10)16-13-14-8-11(9-15-13)17(18)19/h8-10,12H,2-7H2,1H3,(H,14,15,16)
InChIKeyXLTMNXUZIPNHPF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.16
Rot. Bonds5

About N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine

N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine (PubChem CID 55069697) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine
PubChem CID55069697
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine
SMILESCCC(Nc1ncc([N+](=O)[O-])cn1)C1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-2-12(10-6-4-3-5-7-10)16-13-14-8-11(9-15-13)17(18)19/h8-10,12H,2-7H2,1H3,(H,14,15,16)
InChIKeyXLTMNXUZIPNHPF-UHFFFAOYSA-N
XLogP3.16
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.16
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

1-cyclohexyl-N-(5-nitropyrimidin-2-yl)ethane-1,2-diamine
CID 115309590
1-cyclohexyl-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309542
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 61147056
N-[1-(4-methylphenyl)propyl]-5-nitropyrimidin-2-amine
CID 133467239
N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 61146099
(2S,3S)-3-methyl-2-[(5-nitropyrimidin-2-yl)amino]pentanoic acid
CID 122050395
5-bromo-N-(1-cyclohexylpropyl)-4-fluoro-2-nitroaniline
CID 116737111
5-nitro-N-octan-4-ylpyrimidin-2-amine
CID 104626135
1-cyclohexyl-N-methyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755032
4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80801837
N-(1-cyclohexylpropyl)-3-methylpyrazin-2-amine
CID 83064592

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine (CID 55069697) is N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine is CCC(Nc1ncc([N+](=O)[O-])cn1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine?
The InChIKey is XLTMNXUZIPNHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-12(10-6-4-3-5-7-10)16-13-14-8-11(9-15-13)17(18)19/h8-10,12H,2-7H2,1H3,(H,14,15,16).
What are the key properties of N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine?
N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 55069697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).