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

C17H20N6OS — CID 143513627

IUPAC5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H20N6OS/c1-3-9(2)20-17-22-15(21-10-7-5-4-6-8-10)11-12(18)13(14(19)24)25-16(11)23-17/h4-9H,3,18H2,1-2H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyBQTKPGJOIVJORH-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.33
Rot. Bonds6

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

5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143513627) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143513627
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H20N6OS/c1-3-9(2)20-17-22-15(21-10-7-5-4-6-8-10)11-12(18)13(14(19)24)25-16(11)23-17/h4-9H,3,18H2,1-2H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyBQTKPGJOIVJORH-UHFFFAOYSA-N
XLogP3.33
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.33
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-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 143513627) is 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CCC(C)Nc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BQTKPGJOIVJORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-3-9(2)20-17-22-15(21-10-7-5-4-6-8-10)11-12(18)13(14(19)24)25-16(11)23-17/h4-9H,3,18H2,1-2H3,(H2,19,24)(H2,20,21,22,23).
What are the key properties of 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 3.33, 6 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-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143513627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).