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

C14H23N3O2 — CID 136976195

IUPAC2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-12-16-13(7-14(19)17-12)15-8-10-5-3-4-6-11(10)9-18/h7,10-11,18H,2-6,8-9H2,1H3,(H2,15,16,17,19)
InChIKeyYKKYZKVMIBAOQV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds5

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

2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136976195) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136976195
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-12-16-13(7-14(19)17-12)15-8-10-5-3-4-6-11(10)9-18/h7,10-11,18H,2-6,8-9H2,1H3,(H2,15,16,17,19)
InChIKeyYKKYZKVMIBAOQV-UHFFFAOYSA-N
XLogP1.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173258
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173259
2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173262
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173263
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 114586521
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586523
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one
CID 114586525
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)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746829
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746830

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one (CID 136976195) is 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2CCCCC2CO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is YKKYZKVMIBAOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-12-16-13(7-14(19)17-12)15-8-10-5-3-4-6-11(10)9-18/h7,10-11,18H,2-6,8-9H2,1H3,(H2,15,16,17,19).
What are the key properties of 2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.54, 5 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]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).