N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide

C13H20N4O3S — CID 95848174

IUPACN,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc([C@@]2(C)CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C13H20N4O3S/c1-9-8-10(11(18)14-3)16-12(15-9)13(2)6-5-7-17(13)21(4,19)20/h8H,5-7H2,1-4H3,(H,14,18)/t13-/m1/s1
InChIKeyAHBKCDDBHACFOK-CYBMUJFWSA-N
MW312.40 g/mol
LogP0.42
Rot. Bonds3

About N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide

N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 95848174) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID95848174
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc([C@@]2(C)CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C13H20N4O3S/c1-9-8-10(11(18)14-3)16-12(15-9)13(2)6-5-7-17(13)21(4,19)20/h8H,5-7H2,1-4H3,(H,14,18)/t13-/m1/s1
InChIKeyAHBKCDDBHACFOK-CYBMUJFWSA-N
XLogP0.42
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 95848174) is N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2S(C)(=O)=O)n1.
What is the InChIKey of N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is AHBKCDDBHACFOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9-8-10(11(18)14-3)16-12(15-9)13(2)6-5-7-17(13)21(4,19)20/h8H,5-7H2,1-4H3,(H,14,18)/t13-/m1/s1.
What are the key properties of N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95848174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).