6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one

C13H22N4OS — CID 154782778

IUPAC6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one
SMILESCN1CCCCC1CCSc1nc(=O)cc(N)n1C
InChIInChI=1S/C13H22N4OS/c1-16-7-4-3-5-10(16)6-8-19-13-15-12(18)9-11(14)17(13)2/h9-10H,3-8,14H2,1-2H3
InChIKeyOGMUMFDZFJPHQA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.33
Rot. Bonds4

About 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one

6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one (PubChem CID 154782778) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one
PubChem CID154782778
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one
SMILESCN1CCCCC1CCSc1nc(=O)cc(N)n1C
InChIInChI=1S/C13H22N4OS/c1-16-7-4-3-5-10(16)6-8-19-13-15-12(18)9-11(14)17(13)2/h9-10H,3-8,14H2,1-2H3
InChIKeyOGMUMFDZFJPHQA-UHFFFAOYSA-N
XLogP1.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 79148324
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 47096301
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974
5-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43305678
4-butyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-one
CID 47096241
1-methyl-2-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine
CID 112778093
3-(3-methoxypropyl)-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]quinazolin-4-one
CID 112776663
7-chloro-3-(3-methoxypropyl)-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]quinazolin-4-one
CID 112777929
1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanone
CID 107914245
N,N-dimethyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-1,3-benzoxazole-5-sulfonamide
CID 112786832
6-[2-(1-methylpiperidin-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369267

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one?
The IUPAC name of 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one (CID 154782778) is 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one.
What is the SMILES notation for 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one?
The canonical SMILES for 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one is CN1CCCCC1CCSc1nc(=O)cc(N)n1C.
What is the InChIKey of 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one?
The InChIKey is OGMUMFDZFJPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-16-7-4-3-5-10(16)6-8-19-13-15-12(18)9-11(14)17(13)2/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one?
6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one has a molecular weight of 282.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one is sourced from PubChem (CID 154782778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).