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

C13H19N3O2 — CID 136973322

IUPAC2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-3-11-14-12(8-13(18)15-11)16(2)9-4-6-10(17)7-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyTYRRDSKJGYWNSS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.28
Rot. Bonds3

About 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973322) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136973322
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-3-11-14-12(8-13(18)15-11)16(2)9-4-6-10(17)7-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyTYRRDSKJGYWNSS-UHFFFAOYSA-N
XLogP1.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955879
4-[(4-aminocyclohexyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136958263
2-ethyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one
CID 136958275
2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958281
4-[3-aminopropyl(cyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136972582
4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973303
4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973305
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306
4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973319
4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973320
2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973321
2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973327

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (CID 136973322) is 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is CCc1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is TYRRDSKJGYWNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-11-14-12(8-13(18)15-11)16(2)9-4-6-10(17)7-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).