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

C15H19N5OS — CID 127320171

IUPAC5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C(C)N(C)Cc3ccn[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H19N5OS/c1-8-10(3)22-15-12(8)14(21)17-13(18-15)9(2)20(4)7-11-5-6-16-19-11/h5-6,9H,7H2,1-4H3,(H,16,19)(H,17,18,21)
InChIKeyCHZLZIZJWDSDEN-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.52
Rot. Bonds4

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

5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 127320171) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID127320171
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C(C)N(C)Cc3ccn[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H19N5OS/c1-8-10(3)22-15-12(8)14(21)17-13(18-15)9(2)20(4)7-11-5-6-16-19-11/h5-6,9H,7H2,1-4H3,(H,16,19)(H,17,18,21)
InChIKeyCHZLZIZJWDSDEN-UHFFFAOYSA-N
XLogP2.52
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 127320171) is 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(C(C)N(C)Cc3ccn[nH]3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CHZLZIZJWDSDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-8-10(3)22-15-12(8)14(21)17-13(18-15)9(2)20(4)7-11-5-6-16-19-11/h5-6,9H,7H2,1-4H3,(H,16,19)(H,17,18,21).
What are the key properties of 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 317.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 127320171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).