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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Related Compounds

5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513627
5-amino-N-methyl-2-(methylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738165
3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide
CID 23401042
5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 58125855
5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738982
5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513566
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3117016
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 11290410
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123

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).