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

C12H19N3O — CID 83852403

IUPAC5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one
SMILESNCCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c13-7-6-10-8-14-11(15-12(10)16)9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H,14,15,16)
InChIKeyYQAZKMOSMXVHBR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.32
Rot. Bonds3

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

5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one (PubChem CID 83852403) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one
PubChem CID83852403
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one
SMILESNCCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c13-7-6-10-8-14-11(15-12(10)16)9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H,14,15,16)
InChIKeyYQAZKMOSMXVHBR-UHFFFAOYSA-N
XLogP1.32
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
CID 114216766
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
CID 117260853
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane
CID 144923588
2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522
5-ethyl-2-hexan-3-yl-1H-pyrimidin-6-one
CID 177910407
2-Cyclohexyl-5-ethylpyrimidin-4(3H)-one
CID 12342969
2,5-dicyclohexyl-1H-pyrimidin-6-one
CID 12342970

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one (CID 83852403) is 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one is NCCc1cnc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
The InChIKey is YQAZKMOSMXVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-7-6-10-8-14-11(15-12(10)16)9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H,14,15,16).
What are the key properties of 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one?
5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one is sourced from PubChem (CID 83852403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).