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

C16H19N5OS — CID 136603424

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(C(C)N3CCCC3)[nH]c(=O)c2s1
InChIInChI=1S/C16H19N5OS/c1-9-11(8-17-20-9)13-7-12-14(23-13)16(22)19-15(18-12)10(2)21-5-3-4-6-21/h7-8,10H,3-6H2,1-2H3,(H,17,20)(H,18,19,22)
InChIKeyMWPKVVFLQRKJCI-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.84
Rot. Bonds3

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

6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603424) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136603424
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(C(C)N3CCCC3)[nH]c(=O)c2s1
InChIInChI=1S/C16H19N5OS/c1-9-11(8-17-20-9)13-7-12-14(23-13)16(22)19-15(18-12)10(2)21-5-3-4-6-21/h7-8,10H,3-6H2,1-2H3,(H,17,20)(H,18,19,22)
InChIKeyMWPKVVFLQRKJCI-UHFFFAOYSA-N
XLogP2.84
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603424) is 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2nc(C(C)N3CCCC3)[nH]c(=O)c2s1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MWPKVVFLQRKJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9-11(8-17-20-9)13-7-12-14(23-13)16(22)19-15(18-12)10(2)21-5-3-4-6-21/h7-8,10H,3-6H2,1-2H3,(H,17,20)(H,18,19,22).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 329.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 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-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).