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

C17H16FN5O2S — CID 59647272

IUPAC5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(F)c(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H16FN5O2S/c1-25-8-4-5-10(18)9(6-8)13-11-12(19)14(15(20)24)26-16(11)23-17(22-13)21-7-2-3-7/h4-7H,2-3,19H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyNDQLYCMFQUVPQY-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.76
Rot. Bonds5

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

5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647272) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647272
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC Name5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(F)c(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H16FN5O2S/c1-25-8-4-5-10(18)9(6-8)13-11-12(19)14(15(20)24)26-16(11)23-17(22-13)21-7-2-3-7/h4-7H,2-3,19H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyNDQLYCMFQUVPQY-UHFFFAOYSA-N
XLogP2.76
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Org-41841
CID 9887381
PMID23084894C10i
CID 57559562
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003845
3-amino-N-(2,5-difluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1941998
N-tert-butyl-5-amino-4-(2,3-dimethoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11539288
N-tert-butyl-5-amino-4-(3-methoxyphenyl)-N-methyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11654606
5-(3-Fluoro-4-methoxyphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54584889
5-Amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56834881
5-Amino-4-(3-chloro-5-hydroxyphenyl)-2-cyclopropylamino-thieno[2,3-d]pyrimidine-6-carboxamide
CID 56834882
5-Amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57390813
5-Amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57392635

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647272) is 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(F)c(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NDQLYCMFQUVPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-25-8-4-5-10(18)9(6-8)13-11-12(19)14(15(20)24)26-16(11)23-17(22-13)21-7-2-3-7/h4-7H,2-3,19H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 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-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).