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

C14H21N3O2 — CID 136973320

IUPAC4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-9(2)14-15-12(8-13(19)16-14)17(3)10-4-6-11(18)7-5-10/h8-10H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyGONIKIPBMRQCMD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds3

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

4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973320) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973320
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-9(2)14-15-12(8-13(19)16-14)17(3)10-4-6-11(18)7-5-10/h8-10H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyGONIKIPBMRQCMD-UHFFFAOYSA-N
XLogP1.84
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958268
4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958286
4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973275
4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973285
4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973288
4-(4-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973294
4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973296
4-(4-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973297
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
2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973321

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973320) is 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)C2CCC(=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GONIKIPBMRQCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)14-15-12(8-13(19)16-14)17(3)10-4-6-11(18)7-5-10/h8-10H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of 4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.84, 3 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]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).