2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136746829

IUPAC2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-2-11-15-12(7-13(18)16-11)14-10-6-4-3-5-9(10)8-17/h7,9-10,17H,2-6,8H2,1H3,(H2,14,15,16,18)
InChIKeyIABIXNULUCGGDU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds4

About 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one

2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136746829) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136746829
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-2-11-15-12(7-13(18)16-11)14-10-6-4-3-5-9(10)8-17/h7,9-10,17H,2-6,8H2,1H3,(H2,14,15,16,18)
InChIKeyIABIXNULUCGGDU-UHFFFAOYSA-N
XLogP1.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746818
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746819
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746822
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746825
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746830
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746836
4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746839
2-ethyl-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823128

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136746829) is 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is CCc1nc(NC2CCCCC2CO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is IABIXNULUCGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-15-12(7-13(18)16-11)14-10-6-4-3-5-9(10)8-17/h7,9-10,17H,2-6,8H2,1H3,(H2,14,15,16,18).
What are the key properties of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one?
2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136746829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).