1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

C12H19N5OS — CID 103198582

IUPAC1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(N)nc(SC)n2)C1
InChIInChI=1S/C12H19N5OS/c1-14-11(18)8-4-3-5-17(7-8)10-6-9(13)15-12(16-10)19-2/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyIGLJNTMECUSRJB-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.74
Rot. Bonds3

About 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103198582) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103198582
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(N)nc(SC)n2)C1
InChIInChI=1S/C12H19N5OS/c1-14-11(18)8-4-3-5-17(7-8)10-6-9(13)15-12(16-10)19-2/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyIGLJNTMECUSRJB-UHFFFAOYSA-N
XLogP0.74
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-amino-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 72839018
N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 172880710
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
1-(6-hydrazinylpyrazin-2-yl)-N-methylpiperidine-3-carboxamide
CID 103198738
6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80798063
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (CID 103198582) is 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(N)nc(SC)n2)C1.
What is the InChIKey of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is IGLJNTMECUSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-14-11(18)8-4-3-5-17(7-8)10-6-9(13)15-12(16-10)19-2/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H2,13,15,16).
What are the key properties of 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103198582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).