5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C12H19N3O2S — CID 136964198

IUPAC5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(SC)CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2S/c1-17-9-10(14-8-15-11(9)16)13-7-12(18-2)5-3-4-6-12/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyUGZVKYPODKSMNS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.87
Rot. Bonds5

About 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136964198) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136964198
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(SC)CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2S/c1-17-9-10(14-8-15-11(9)16)13-7-12(18-2)5-3-4-6-12/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyUGZVKYPODKSMNS-UHFFFAOYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723618
5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762574
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
5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823719
5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867389
5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867425
4-(3-cyclopentylpropylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136883399

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136964198) is 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(SC)CCCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is UGZVKYPODKSMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-9-10(14-8-15-11(9)16)13-7-12(18-2)5-3-4-6-12/h8H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 269.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136964198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).