2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

C11H17N3OS — CID 136762592

IUPAC2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]c(C)n2)CCC1
InChIInChI=1S/C11H17N3OS/c1-8-13-9(6-10(15)14-8)12-7-11(16-2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLEASRKRROCKBBD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.78
Rot. Bonds4

About 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762592) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762592
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]c(C)n2)CCC1
InChIInChI=1S/C11H17N3OS/c1-8-13-9(6-10(15)14-8)12-7-11(16-2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLEASRKRROCKBBD-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-Methylsulfanylcyclobutyl)methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 133529046
2-methyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723617
4-(6-methylsulfanylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723619
2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723620
2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730584
2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762573
4-[(1-methylsulfanylcyclopropyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762576
2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762582
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762585
2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762587
4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762598
2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136762592) is 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2cc(=O)[nH]c(C)n2)CCC1.
What is the InChIKey of 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is LEASRKRROCKBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-13-9(6-10(15)14-8)12-7-11(16-2)4-3-5-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).