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

C12H17N3O2 — CID 136973321

IUPAC2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8-13-11(7-12(17)14-8)15(2)9-3-5-10(16)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJCNWQMGLHWRRTF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.03
Rot. Bonds2

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

2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973321) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136973321
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8-13-11(7-12(17)14-8)15(2)9-3-5-10(16)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJCNWQMGLHWRRTF-UHFFFAOYSA-N
XLogP1.03
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.03
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-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956209
4-[(4-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136958266
2-methyl-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958272
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136958278
2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958284
4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136972581
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (CID 136973321) is 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is Cc1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is JCNWQMGLHWRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-13-11(7-12(17)14-8)15(2)9-3-5-10(16)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).