5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

C10H14ClN3OS — CID 136762595

IUPAC5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C10H14ClN3OS/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyLQYZURCZDKBAAV-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.12
Rot. Bonds4

About 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762595) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762595
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C10H14ClN3OS/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyLQYZURCZDKBAAV-UHFFFAOYSA-N
XLogP2.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762577
5-chloro-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762586
5-iodo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762596
4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762598
5-bromo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762599
5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762603
5-chloro-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762613
5-chloro-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778332
5-chloro-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811838
5-chloro-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857189
5-chloro-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one
CID 136896823
5-chloro-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136964287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136762595) is 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2nc[nH]c(=O)c2Cl)CCC1.
What is the InChIKey of 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is LQYZURCZDKBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 259.76 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).