3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide

C16H26N4O4S — CID 125178289

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H26N4O4S/c1-11-14(12(2)19-16(22)18-11)6-7-15(21)17-9-13-5-4-8-20(10-13)25(3,23)24/h13H,4-10H2,1-3H3,(H,17,21)(H,18,19,22)/t13-/m1/s1
InChIKeyUPPGGCBZTUCRAH-CYBMUJFWSA-N
MW370.48 g/mol
LogP0.11
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide (PubChem CID 125178289) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide
PubChem CID125178289
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H26N4O4S/c1-11-14(12(2)19-16(22)18-11)6-7-15(21)17-9-13-5-4-8-20(10-13)25(3,23)24/h13H,4-10H2,1-3H3,(H,17,21)(H,18,19,22)/t13-/m1/s1
InChIKeyUPPGGCBZTUCRAH-CYBMUJFWSA-N
XLogP0.11
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-5-[3-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]-1H-pyrimidin-2-one
CID 72881915
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46983824
N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 133118436
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47909658
5-[3-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 70727298
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160476
N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131936710
4-[(1-methylsulfonylpiperidin-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 77078744
N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
CID 50847725
5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 9406447
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 103746439
4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one
CID 95188207

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide (CID 125178289) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide?
The InChIKey is UPPGGCBZTUCRAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11-14(12(2)19-16(22)18-11)6-7-15(21)17-9-13-5-4-8-20(10-13)25(3,23)24/h13H,4-10H2,1-3H3,(H,17,21)(H,18,19,22)/t13-/m1/s1.
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide has a molecular weight of 370.48 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 125178289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).