2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide

C15H24N4O4S — CID 72845449

IUPAC2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCc1ncc(CC(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N4O4S/c1-9(2)12-7-19(24(4,22)23)8-13(12)18-14(20)5-11-6-16-10(3)17-15(11)21/h6,9,12-13H,5,7-8H2,1-4H3,(H,18,20)(H,16,17,21)/t12-,13+/m1/s1
InChIKeyAKWLNXZQYNSVNJ-OLZOCXBDSA-N
MW356.45 g/mol
LogP-0.35
Rot. Bonds5

About 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide

2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72845449) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72845449
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCc1ncc(CC(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N4O4S/c1-9(2)12-7-19(24(4,22)23)8-13(12)18-14(20)5-11-6-16-10(3)17-15(11)21/h6,9,12-13H,5,7-8H2,1-4H3,(H,18,20)(H,16,17,21)/t12-,13+/m1/s1
InChIKeyAKWLNXZQYNSVNJ-OLZOCXBDSA-N
XLogP-0.35
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-{2-[(3R*,4S*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 72851740
N-{(3R*,4S*)-1-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 72937848
N-[(3S,4R)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133123984
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S,4R)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 133132141
5-[2-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 133134147
N-{(3S*,4R*)-1-[(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 136254140

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 72845449) is 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide is Cc1ncc(CC(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is AKWLNXZQYNSVNJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-9(2)12-7-19(24(4,22)23)8-13(12)18-14(20)5-11-6-16-10(3)17-15(11)21/h6,9,12-13H,5,7-8H2,1-4H3,(H,18,20)(H,16,17,21)/t12-,13+/m1/s1.
What are the key properties of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide?
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 356.45 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72845449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).