N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide

C12H18N4OS — CID 172880710

IUPACN-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)nc(SC)n2)C1
InChIInChI=1S/C12H18N4OS/c1-8-6-10(15-12(14-8)18-3)16-5-4-9(7-16)11(17)13-2/h6,9H,4-5,7H2,1-3H3,(H,13,17)
InChIKeyHBUJJBQERZPQLL-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide

N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 172880710) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID172880710
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)nc(SC)n2)C1
InChIInChI=1S/C12H18N4OS/c1-8-6-10(15-12(14-8)18-3)16-5-4-9(7-16)11(17)13-2/h6,9H,4-5,7H2,1-3H3,(H,13,17)
InChIKeyHBUJJBQERZPQLL-UHFFFAOYSA-N
XLogP1.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198582
1,1,3-trimethyl-3-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603402
(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95204087
N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172900479
1-[6-amino-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 72839018
N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172901096
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
CID 171327993
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
(4aS,8aR)-1-(3-methylbutyl)-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70713237

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 172880710) is N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2cc(C)nc(SC)n2)C1.
What is the InChIKey of N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is HBUJJBQERZPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-6-10(15-12(14-8)18-3)16-5-4-9(7-16)11(17)13-2/h6,9H,4-5,7H2,1-3H3,(H,13,17).
What are the key properties of N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 172880710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).