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

C14H16N4O2S — CID 110114830

IUPAC6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCc1nc(C)c(C(=O)N2CCCC2c2ccnc(=O)[nH]2)s1
InChIInChI=1S/C14H16N4O2S/c1-8-12(21-9(2)16-8)13(19)18-7-3-4-11(18)10-5-6-15-14(20)17-10/h5-6,11H,3-4,7H2,1-2H3,(H,15,17,20)
InChIKeyNKLPVNPMYSSGEN-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.82
Rot. Bonds2

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

6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 110114830) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID110114830
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCc1nc(C)c(C(=O)N2CCCC2c2ccnc(=O)[nH]2)s1
InChIInChI=1S/C14H16N4O2S/c1-8-12(21-9(2)16-8)13(19)18-7-3-4-11(18)10-5-6-15-14(20)17-10/h5-6,11H,3-4,7H2,1-2H3,(H,15,17,20)
InChIKeyNKLPVNPMYSSGEN-UHFFFAOYSA-N
XLogP1.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 110114830) is 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is Cc1nc(C)c(C(=O)N2CCCC2c2ccnc(=O)[nH]2)s1.
What is the InChIKey of 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is NKLPVNPMYSSGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-12(21-9(2)16-8)13(19)18-7-3-4-11(18)10-5-6-15-14(20)17-10/h5-6,11H,3-4,7H2,1-2H3,(H,15,17,20).
What are the key properties of 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 304.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110114830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).