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

C16H20N4O2S — CID 135963637

IUPAC5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)c2scnc2C)[nH]c1=O
InChIInChI=1S/C16H20N4O2S/c1-4-11-9(2)18-14(19-15(11)21)12-6-5-7-20(12)16(22)13-10(3)17-8-23-13/h8,12H,4-7H2,1-3H3,(H,18,19,21)/t12-/m1/s1
InChIKeyIXSHHLADYSMUOK-GFCCVEGCSA-N
MW332.43 g/mol
LogP2.38
Rot. Bonds3

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

5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 135963637) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID135963637
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)c2scnc2C)[nH]c1=O
InChIInChI=1S/C16H20N4O2S/c1-4-11-9(2)18-14(19-15(11)21)12-6-5-7-20(12)16(22)13-10(3)17-8-23-13/h8,12H,4-7H2,1-3H3,(H,18,19,21)/t12-/m1/s1
InChIKeyIXSHHLADYSMUOK-GFCCVEGCSA-N
XLogP2.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 135963637) is 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is CCc1c(C)nc([C@H]2CCCN2C(=O)c2scnc2C)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is IXSHHLADYSMUOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-11-9(2)18-14(19-15(11)21)12-6-5-7-20(12)16(22)13-10(3)17-8-23-13/h8,12H,4-7H2,1-3H3,(H,18,19,21)/t12-/m1/s1.
What are the key properties of 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 332.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135963637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).