5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one

C12H19N3O2S — CID 136730575

IUPAC5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC(SC)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2S/c1-17-10-11(13-7-14-12(10)16)15-8-4-3-5-9(6-8)18-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyFKOLDNOZCKORPG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.86
Rot. Bonds4

About 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136730575) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136730575
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC(SC)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2S/c1-17-10-11(13-7-14-12(10)16)15-8-4-3-5-9(6-8)18-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyFKOLDNOZCKORPG-UHFFFAOYSA-N
XLogP1.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723618
5-methoxy-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726601
5-methoxy-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730585
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136762583
5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762593
5-methoxy-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762611
4-[(2-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136811842
4-[(4-aminocyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136958265
5-methoxy-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958283
5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964251
5-methoxy-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136964264
5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964265

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136730575) is 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCCC(SC)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FKOLDNOZCKORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-10-11(13-7-14-12(10)16)15-8-4-3-5-9(6-8)18-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 269.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).