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

C14H17N5O2S — CID 136603209

IUPAC2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(CN(C)CCO)[nH]c(=O)c2s1
InChIInChI=1S/C14H17N5O2S/c1-8-9(6-15-18-8)11-5-10-13(22-11)14(21)17-12(16-10)7-19(2)3-4-20/h5-6,20H,3-4,7H2,1-2H3,(H,15,18)(H,16,17,21)
InChIKeyZTSSOPPKMCSYIG-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.11
Rot. Bonds5

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

2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603209) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136603209
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(CN(C)CCO)[nH]c(=O)c2s1
InChIInChI=1S/C14H17N5O2S/c1-8-9(6-15-18-8)11-5-10-13(22-11)14(21)17-12(16-10)7-19(2)3-4-20/h5-6,20H,3-4,7H2,1-2H3,(H,15,18)(H,16,17,21)
InChIKeyZTSSOPPKMCSYIG-UHFFFAOYSA-N
XLogP1.11
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603207
6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603235
2-[(2,4-dimethoxyanilino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603347
2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138527138
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
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
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-[(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
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-2-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603280
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603209) is 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2nc(CN(C)CCO)[nH]c(=O)c2s1.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZTSSOPPKMCSYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-8-9(6-15-18-8)11-5-10-13(22-11)14(21)17-12(16-10)7-19(2)3-4-20/h5-6,20H,3-4,7H2,1-2H3,(H,15,18)(H,16,17,21).
What are the key properties of 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 319.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).