5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136825674

IUPAC5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(C)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-3-5-9(6-4-8)15-11-10(17-2)12(16)14-7-13-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyYNMXUOPBVKCPJC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds3

About 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136825674) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136825674
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(C)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-3-5-9(6-4-8)15-11-10(17-2)12(16)14-7-13-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyYNMXUOPBVKCPJC-UHFFFAOYSA-N
XLogP1.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746831
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762611
5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786656
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136825674) is 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCC(C)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YNMXUOPBVKCPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-3-5-9(6-4-8)15-11-10(17-2)12(16)14-7-13-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136825674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).