4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one

C11H15N3O2 — CID 136973319

IUPAC4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]cn1)C1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-14(8-2-4-9(15)5-3-8)10-6-11(16)13-7-12-10/h6-8H,2-5H2,1H3,(H,12,13,16)
InChIKeyXPZKECUYJDGDMJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.72
Rot. Bonds2

About 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one

4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973319) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136973319
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]cn1)C1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-14(8-2-4-9(15)5-3-8)10-6-11(16)13-7-12-10/h6-8H,2-5H2,1H3,(H,12,13,16)
InChIKeyXPZKECUYJDGDMJ-UHFFFAOYSA-N
XLogP0.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973302
2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973321
2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973322
5-chloro-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973323
5-bromo-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973324
5-iodo-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973325
5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973326

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (CID 136973319) is 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is CN(c1cc(=O)[nH]cn1)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XPZKECUYJDGDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(8-2-4-9(15)5-3-8)10-6-11(16)13-7-12-10/h6-8H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).