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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62564856
5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62567120
5-[2-(butylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62565634
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
5-[2-(4-chloroanilino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62566016
1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62567717
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 18138888
methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate
CID 167901085
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63315808
5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 126803622
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468

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).