5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C14H14N6OS — CID 143513476

IUPAC5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H14N6OS/c1-17-14-19-12(18-7-5-3-2-4-6-7)8-9(15)10(11(16)21)22-13(8)20-14/h2-6H,15H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyKYPPVDARKAQDJA-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.16
Rot. Bonds4

About 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143513476) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143513476
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H14N6OS/c1-17-14-19-12(18-7-5-3-2-4-6-7)8-9(15)10(11(16)21)22-13(8)20-14/h2-6H,15H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyKYPPVDARKAQDJA-UHFFFAOYSA-N
XLogP2.16
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 143513476) is 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CNc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KYPPVDARKAQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-17-14-19-12(18-7-5-3-2-4-6-7)8-9(15)10(11(16)21)22-13(8)20-14/h2-6H,15H2,1H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143513476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).