2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

C17H22N4O2S — CID 135963635

IUPAC2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)c2sc(C)nc2C)[nH]c1=O
InChIInChI=1S/C17H22N4O2S/c1-5-12-9(2)19-15(20-16(12)22)13-7-6-8-21(13)17(23)14-10(3)18-11(4)24-14/h13H,5-8H2,1-4H3,(H,19,20,22)/t13-/m1/s1
InChIKeyDPZWVXCWNUIWRJ-CYBMUJFWSA-N
MW346.46 g/mol
LogP2.69
Rot. Bonds3

About 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135963635) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135963635
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)c2sc(C)nc2C)[nH]c1=O
InChIInChI=1S/C17H22N4O2S/c1-5-12-9(2)19-15(20-16(12)22)13-7-6-8-21(13)17(23)14-10(3)18-11(4)24-14/h13H,5-8H2,1-4H3,(H,19,20,22)/t13-/m1/s1
InChIKeyDPZWVXCWNUIWRJ-CYBMUJFWSA-N
XLogP2.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136253818
2-isopropyl-4-methyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]-1,3-thiazole-5-carboxamide
CID 56740570
Rel-(6R,9S)-11-[(2,4-dimethyl-1,3-thiazol-5-YL)carbonyl]-2-ethyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[D]pyrimidin-4(3H)-one
CID 137256823
2-[(2R)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136108018
2-[(2S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136108019
2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136108193
2-[(2S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136108194
5-fluoro-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136108197
5-fluoro-4-methyl-2-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136108198
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136253799
5-fluoro-4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136253801
2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136253806

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135963635) is 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc([C@H]2CCCN2C(=O)c2sc(C)nc2C)[nH]c1=O.
What is the InChIKey of 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DPZWVXCWNUIWRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-5-12-9(2)19-15(20-16(12)22)13-7-6-8-21(13)17(23)14-10(3)18-11(4)24-14/h13H,5-8H2,1-4H3,(H,19,20,22)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 346.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135963635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).