5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine

C17H15N5S — CID 675346

IUPAC5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine
SMILESCc1ccc(-c2csc3ncnc(-n4nc(C)cc4N)c23)cc1
InChIInChI=1S/C17H15N5S/c1-10-3-5-12(6-4-10)13-8-23-17-15(13)16(19-9-20-17)22-14(18)7-11(2)21-22/h3-9H,18H2,1-2H3
InChIKeyMRDDAXIADLDKAK-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.74
Rot. Bonds2

About 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine

5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine (PubChem CID 675346) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine
PubChem CID675346
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine
SMILESCc1ccc(-c2csc3ncnc(-n4nc(C)cc4N)c23)cc1
InChIInChI=1S/C17H15N5S/c1-10-3-5-12(6-4-10)13-8-23-17-15(13)16(19-9-20-17)22-14(18)7-11(2)21-22/h3-9H,18H2,1-2H3
InChIKeyMRDDAXIADLDKAK-UHFFFAOYSA-N
XLogP3.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine (CID 675346) is 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine is Cc1ccc(-c2csc3ncnc(-n4nc(C)cc4N)c23)cc1.
What is the InChIKey of 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine?
The InChIKey is MRDDAXIADLDKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-10-3-5-12(6-4-10)13-8-23-17-15(13)16(19-9-20-17)22-14(18)7-11(2)21-22/h3-9H,18H2,1-2H3.
What are the key properties of 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine?
5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine has a molecular weight of 321.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 675346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).