N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine

C17H18N6O2 — CID 143687407

IUPACN-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cccc2c1cnn2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H18N6O2/c24-23(25)15-8-4-7-14-13(15)11-19-22(14)16-9-10-18-17(21-16)20-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,18,20,21)
InChIKeyPQJJZGHUHJTFFA-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.47
Rot. Bonds4

About N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine

N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine (PubChem CID 143687407) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine
PubChem CID143687407
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cccc2c1cnn2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H18N6O2/c24-23(25)15-8-4-7-14-13(15)11-19-22(14)16-9-10-18-17(21-16)20-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,18,20,21)
InChIKeyPQJJZGHUHJTFFA-UHFFFAOYSA-N
XLogP3.47
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine (CID 143687407) is N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine is O=[N+]([O-])c1cccc2c1cnn2-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine?
The InChIKey is PQJJZGHUHJTFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-23(25)15-8-4-7-14-13(15)11-19-22(14)16-9-10-18-17(21-16)20-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,18,20,21).
What are the key properties of N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine?
N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine has a molecular weight of 338.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 143687407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).