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

C11H16N4O2 — CID 136973326

IUPAC5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1N)C1CCC(=O)CC1
InChIInChI=1S/C11H16N4O2/c1-15(7-2-4-8(16)5-3-7)10-9(12)11(17)14-6-13-10/h6-7H,2-5,12H2,1H3,(H,13,14,17)
InChIKeyDUKHNWZHWNENJN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.30
Rot. Bonds2

About 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one

5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973326) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136973326
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1N)C1CCC(=O)CC1
InChIInChI=1S/C11H16N4O2/c1-15(7-2-4-8(16)5-3-7)10-9(12)11(17)14-6-13-10/h6-7H,2-5,12H2,1H3,(H,13,14,17)
InChIKeyDUKHNWZHWNENJN-UHFFFAOYSA-N
XLogP0.30
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136807856
5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136958262
5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958269
5-amino-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one
CID 136958274
4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136973310
4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973319
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-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973345
5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
CID 136974274
5-amino-4-[(4-aminocyclohexyl)-ethylamino]-1H-pyrimidin-6-one
CID 136978635

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one (CID 136973326) is 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1N)C1CCC(=O)CC1.
What is the InChIKey of 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DUKHNWZHWNENJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(7-2-4-8(16)5-3-7)10-9(12)11(17)14-6-13-10/h6-7H,2-5,12H2,1H3,(H,13,14,17).
What are the key properties of 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).