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

C14H19N3O2 — CID 136973327

IUPAC2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]c(C2CC2)n1)C1CCC(=O)CC1
InChIInChI=1S/C14H19N3O2/c1-17(10-4-6-11(18)7-5-10)12-8-13(19)16-14(15-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16,19)
InChIKeyKRKPARBUOANMHT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.60
Rot. Bonds3

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

2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973327) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136973327
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]c(C2CC2)n1)C1CCC(=O)CC1
InChIInChI=1S/C14H19N3O2/c1-17(10-4-6-11(18)7-5-10)12-8-13(19)16-14(15-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16,19)
InChIKeyKRKPARBUOANMHT-UHFFFAOYSA-N
XLogP1.60
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136958264
2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one
CID 136958276
2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958282
4-(4-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973294
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
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-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973322
4-(3-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973338

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (CID 136973327) is 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is CN(c1cc(=O)[nH]c(C2CC2)n1)C1CCC(=O)CC1.
What is the InChIKey of 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KRKPARBUOANMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(10-4-6-11(18)7-5-10)12-8-13(19)16-14(15-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16,19).
What are the key properties of 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 261.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).