N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine

C14H21N5O3 — CID 23487672

IUPACN-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NC2CCCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C14H21N5O3/c20-19(21)12-13(17-11-4-2-1-3-5-11)15-10-16-14(12)18-6-8-22-9-7-18/h10-11H,1-9H2,(H,15,16,17)
InChIKeyGMZPHTUMUQENMH-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.97
Rot. Bonds4

About N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine

N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine (PubChem CID 23487672) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
PubChem CID23487672
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC NameN-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NC2CCCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C14H21N5O3/c20-19(21)12-13(17-11-4-2-1-3-5-11)15-10-16-14(12)18-6-8-22-9-7-18/h10-11H,1-9H2,(H,15,16,17)
InChIKeyGMZPHTUMUQENMH-UHFFFAOYSA-N
XLogP1.97
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.97
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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Related Compounds

6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine
CID 23489844
4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 50904402
N-cyclopropyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine
CID 22003868
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137769
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitropyrimidin-4-amine
CID 23491131
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
CID 23489505
6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23489551
4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 23489598
6-(benzimidazol-1-yl)-N-cycloheptyl-5-nitropyrimidin-4-amine
CID 22538897

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine (CID 23487672) is N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(NC2CCCCC2)ncnc1N1CCOCC1.
What is the InChIKey of N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine?
The InChIKey is GMZPHTUMUQENMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c20-19(21)12-13(17-11-4-2-1-3-5-11)15-10-16-14(12)18-6-8-22-9-7-18/h10-11H,1-9H2,(H,15,16,17).
What are the key properties of N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine?
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine has a molecular weight of 307.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23487672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).