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

C16H16N6O2S — CID 59647013

IUPAC5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cn1
InChIInChI=1S/C16H16N6O2S/c1-24-9-5-2-7(6-19-9)12-10-11(17)13(14(18)23)25-15(10)22-16(21-12)20-8-3-4-8/h2,5-6,8H,3-4,17H2,1H3,(H2,18,23)(H,20,21,22)
InChIKeyPEFILYLSZXHKRH-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.02
Rot. Bonds5

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

5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647013) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647013
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cn1
InChIInChI=1S/C16H16N6O2S/c1-24-9-5-2-7(6-19-9)12-10-11(17)13(14(18)23)25-15(10)22-16(21-12)20-8-3-4-8/h2,5-6,8H,3-4,17H2,1H3,(H2,18,23)(H,20,21,22)
InChIKeyPEFILYLSZXHKRH-UHFFFAOYSA-N
XLogP2.02
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Org-41841
CID 9887381
PMID23084894C10i
CID 57559562
5-(4-Methoxyphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585406
9-dimethylamino-3-(2''-methoxy-5''-pyridyl)-3H-5-thia-1,3,6-triazafluoren-4-one
CID 11717319
13-(4-Methoxyphenyl)-10-thia-3,8,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
CID 16659646
5-(4-Methoxyphenyl)-13-(prop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 23634326
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-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57397876
5-Amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57397920
5-Amino-4-(3-methoxy-5-pyridyl)-2-cyclopropylamino-thieno[2,3-d]pyrimidine-6-carboxamide
CID 57399527
13-(Dimethylamino)-5-(6-methoxy-3-pyridinyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57559504
(S)-2-(6-methoxypyridin-3-yl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52949739

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647013) is 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cn1.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PEFILYLSZXHKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-24-9-5-2-7(6-19-9)12-10-11(17)13(14(18)23)25-15(10)22-16(21-12)20-8-3-4-8/h2,5-6,8H,3-4,17H2,1H3,(H2,18,23)(H,20,21,22).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).