5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H14FN5O2S — CID 59647133

IUPAC5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)ccc3F)c2c1N
InChIInChI=1S/C16H14FN5O2S/c17-9-4-3-7(23)5-8(9)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-6-1-2-6/h3-6,23H,1-2,18H2,(H2,19,24)(H,20,21,22)
InChIKeyVRTFNCYVDLPSEN-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.46
Rot. Bonds4

About 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647133) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647133
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC Name5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)ccc3F)c2c1N
InChIInChI=1S/C16H14FN5O2S/c17-9-4-3-7(23)5-8(9)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-6-1-2-6/h3-6,23H,1-2,18H2,(H2,19,24)(H,20,21,22)
InChIKeyVRTFNCYVDLPSEN-UHFFFAOYSA-N
XLogP2.46
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647133) is 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)ccc3F)c2c1N.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VRTFNCYVDLPSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c17-9-4-3-7(23)5-8(9)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-6-1-2-6/h3-6,23H,1-2,18H2,(H2,19,24)(H,20,21,22).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).