5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one

C11H17N3O — CID 82507340

IUPAC5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one
SMILESNCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c12-6-9-7-13-10(14-11(9)15)8-4-2-1-3-5-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyNNOPYOBMUIBOKL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.28
Rot. Bonds2

About 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one

5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one (PubChem CID 82507340) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one
PubChem CID82507340
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one
SMILESNCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c12-6-9-7-13-10(14-11(9)15)8-4-2-1-3-5-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyNNOPYOBMUIBOKL-UHFFFAOYSA-N
XLogP1.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
CID 114216766
2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114217064
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
2-(cyclohexylmethyl)-1H-pyrimidin-6-one
CID 126997626
5-ethyl-2-hexan-3-yl-1H-pyrimidin-6-one
CID 177910407
2-Cyclohexyl-5-ethylpyrimidin-4(3H)-one
CID 12342969
2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304402
2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 61868971
2-cyclohexyl-5-iodo-1H-pyrimidin-6-one
CID 66314299
2-Tert-butyl-N-(cyclohexylmethyl)-4-hydroxypyrimidine-5-carboxamide
CID 70717162
5-(aminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 82503878

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one (CID 82507340) is 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one is NCc1cnc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
The InChIKey is NNOPYOBMUIBOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-9-7-13-10(14-11(9)15)8-4-2-1-3-5-8/h7-8H,1-6,12H2,(H,13,14,15).
What are the key properties of 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one is sourced from PubChem (CID 82507340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).