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

C16H14ClN5O2S — CID 57399562

IUPAC5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(O)c3)c2c1N
InChIInChI=1S/C16H14ClN5O2S/c17-8-4-1-6(5-9(8)23)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-7-2-3-7/h1,4-5,7,23H,2-3,18H2,(H2,19,24)(H,20,21,22)
InChIKeyMXIYRKZKZZAVHV-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.97
Rot. Bonds4

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

5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57399562) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57399562
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC Name5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(O)c3)c2c1N
InChIInChI=1S/C16H14ClN5O2S/c17-8-4-1-6(5-9(8)23)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-7-2-3-7/h1,4-5,7,23H,2-3,18H2,(H2,19,24)(H,20,21,22)
InChIKeyMXIYRKZKZZAVHV-UHFFFAOYSA-N
XLogP2.97
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57399562) is 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(O)c3)c2c1N.
What is the InChIKey of 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MXIYRKZKZZAVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c17-8-4-1-6(5-9(8)23)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-7-2-3-7/h1,4-5,7,23H,2-3,18H2,(H2,19,24)(H,20,21,22).
What are the key properties of 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 2.97, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57399562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).