6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one

C15H17N5OS — CID 136603280

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc([C@@]3(C)CCCN3)[nH]c(=O)c2s1
InChIInChI=1S/C15H17N5OS/c1-8-9(7-17-20-8)11-6-10-12(22-11)13(21)19-14(18-10)15(2)4-3-5-16-15/h6-7,16H,3-5H2,1-2H3,(H,17,20)(H,18,19,21)/t15-/m1/s1
InChIKeyJHSICIZFMXXVOE-OAHLLOKOSA-N
MW315.40 g/mol
LogP2.28
Rot. Bonds2

About 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one

6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603280) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136603280
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc([C@@]3(C)CCCN3)[nH]c(=O)c2s1
InChIInChI=1S/C15H17N5OS/c1-8-9(7-17-20-8)11-6-10-12(22-11)13(21)19-14(18-10)15(2)4-3-5-16-15/h6-7,16H,3-5H2,1-2H3,(H,17,20)(H,18,19,21)/t15-/m1/s1
InChIKeyJHSICIZFMXXVOE-OAHLLOKOSA-N
XLogP2.28
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603300
9-(5-methyl-1H-pyrazol-4-yl)spiro[8-thia-2,5-diazatricyclo[5.3.0.03,5]deca-1(7),2,9-triene-4,2'-pyrrolidine]-6-one
CID 138527169
2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603284
6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603374
2-[(2S,3R,4S)-3,4-dimethylpyrrolidin-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137198571
2-[(3S,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136592464
2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138527160
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S,5R)-5-phenylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603443
2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603209
2-[2-[6-(5-methyl-1H-pyrazol-4-yl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetic acid
CID 136603245
6-(5-methyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603282
6-(5-methyl-1H-pyrazol-4-yl)-2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603207

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603280) is 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2nc([C@@]3(C)CCCN3)[nH]c(=O)c2s1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JHSICIZFMXXVOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-8-9(7-17-20-8)11-6-10-12(22-11)13(21)19-14(18-10)15(2)4-3-5-16-15/h6-7,16H,3-5H2,1-2H3,(H,17,20)(H,18,19,21)/t15-/m1/s1.
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 315.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).