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

C17H17N5O2S — CID 57397920

IUPAC5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H17N5O2S/c1-24-10-4-2-3-8(7-10)13-11-12(18)14(15(19)23)25-16(11)22-17(21-13)20-9-5-6-9/h2-4,7,9H,5-6,18H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyUXOZSZOFORSOHH-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.62
Rot. Bonds5

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

5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57397920) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57397920
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H17N5O2S/c1-24-10-4-2-3-8(7-10)13-11-12(18)14(15(19)23)25-16(11)22-17(21-13)20-9-5-6-9/h2-4,7,9H,5-6,18H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyUXOZSZOFORSOHH-UHFFFAOYSA-N
XLogP2.62
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.62
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
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127026710
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
3-(Cyclopropylamino)-11-(4-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118816
13-[Cyclopropyl(methyl)amino]-5-(4-methoxyphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16730193
5-(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 54582942
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57397920) is 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UXOZSZOFORSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-10-4-2-3-8(7-10)13-11-12(18)14(15(19)23)25-16(11)22-17(21-13)20-9-5-6-9/h2-4,7,9H,5-6,18H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.62, 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-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57397920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).