1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one

C14H17N5OS — CID 62565244

IUPAC1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(CNCCn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C14H17N5OS/c1-10-3-4-11(21-10)7-15-5-6-19-9-16-13-12(14(19)20)8-17-18(13)2/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyUZKHIHYWOBWYHP-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.29
Rot. Bonds5

About 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 62565244) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID62565244
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(CNCCn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C14H17N5OS/c1-10-3-4-11(21-10)7-15-5-6-19-9-16-13-12(14(19)20)8-17-18(13)2/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyUZKHIHYWOBWYHP-UHFFFAOYSA-N
XLogP1.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 62565244) is 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(CNCCn2cnc3c(cnn3C)c2=O)s1.
What is the InChIKey of 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UZKHIHYWOBWYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-3-4-11(21-10)7-15-5-6-19-9-16-13-12(14(19)20)8-17-18(13)2/h3-4,8-9,15H,5-7H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 303.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 62565244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).