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

C17H18FN5OS — CID 143513566

IUPAC5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(-c2ccccc2F)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H18FN5OS/c1-3-8(2)21-17-22-13(9-6-4-5-7-10(9)18)11-12(19)14(15(20)24)25-16(11)23-17/h4-8H,3,19H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyTXUKSVZORXOCKY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.39
Rot. Bonds5

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

5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143513566) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143513566
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(-c2ccccc2F)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H18FN5OS/c1-3-8(2)21-17-22-13(9-6-4-5-7-10(9)18)11-12(19)14(15(20)24)25-16(11)23-17/h4-8H,3,19H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyTXUKSVZORXOCKY-UHFFFAOYSA-N
XLogP3.39
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 143513566) is 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is CCC(C)Nc1nc(-c2ccccc2F)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is TXUKSVZORXOCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c1-3-8(2)21-17-22-13(9-6-4-5-7-10(9)18)11-12(19)14(15(20)24)25-16(11)23-17/h4-8H,3,19H2,1-2H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143513566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).