methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine

C37H30N12O2S3 — CID 159987376

IUPACmethyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCOC(=O)c1c(C)sc2c(N)nc(-c3ccccn3)nc12.Cc1cc2nc(-c3ccccn3)nc(N)c2s1.Nc1nc(-c2ccccn2)nc2ccsc12
InChIInChI=1S/C14H12N4O2S.C12H10N4S.C11H8N4S/c1-7-9(14(19)20-2)10-11(21-7)12(15)18-13(17-10)8-5-3-4-6-16-8;1-7-6-9-10(17-7)11(13)16-12(15-9)8-4-2-3-5-14-8;12-10-9-7(4-6-16-9)14-11(15-10)8-3-1-2-5-13-8/h3-6H,1-2H3,(H2,15,17,18);2-6H,1H3,(H2,13,15,16);1-6H,(H2,12,14,15)
InChIKeyOGMVXYMVLWIDCA-UHFFFAOYSA-N
MW770.93 g/mol
LogP7.41
Rot. Bonds4

About methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine

methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 159987376) has the molecular formula C37H30N12O2S3 and a molecular weight of 770.93 g/mol. Its IUPAC name is methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Namemethyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID159987376
Molecular FormulaC37H30N12O2S3
Molecular Weight770.93 g/mol
Exact Mass770.18
IUPAC Namemethyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCOC(=O)c1c(C)sc2c(N)nc(-c3ccccn3)nc12.Cc1cc2nc(-c3ccccn3)nc(N)c2s1.Nc1nc(-c2ccccn2)nc2ccsc12
InChIInChI=1S/C14H12N4O2S.C12H10N4S.C11H8N4S/c1-7-9(14(19)20-2)10-11(21-7)12(15)18-13(17-10)8-5-3-4-6-16-8;1-7-6-9-10(17-7)11(13)16-12(15-9)8-4-2-3-5-14-8;12-10-9-7(4-6-16-9)14-11(15-10)8-3-1-2-5-13-8/h3-6H,1-2H3,(H2,15,17,18);2-6H,1H3,(H2,13,15,16);1-6H,(H2,12,14,15)
InChIKeyOGMVXYMVLWIDCA-UHFFFAOYSA-N
XLogP7.41
TPSA220.37 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 57.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Methyl 3-[4-[[6-(methylamino)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]thiophene-2-carboxylate
CID 145978300
Methyl 4-methyl-3-[[7-[[6-(trifluoromethyl)pyridin-3-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]amino]thiophene-2-carboxylate
CID 59646485
Ethyl 5-amino-2-pyridin-4-yl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate
CID 22597562
Methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate
CID 58228881
Ethyl 2-[4-[[[2-[2-[6-(methylamino)-3-pyridinyl]morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 67451659
Propan-2-yl 6-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methylamino]pyridine-3-carboxylate
CID 86682125
Propan-2-yl 6-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-methylamino]pyridine-3-carboxylate
CID 87222664
2-[(7-Methoxycarbonylthieno[3,2-d]pyrimidin-6-yl)methyl]thieno[3,2-d]pyrimidine-7-carboxylic acid
CID 132198782
Ethyl 2-[2-[2-[2-[6-(methylamino)-3-pyridinyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ylamino]pyrimidine-5-carboxylate
CID 132232134
Methyl 3-[[2-amino-5-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]thiophene-2-carboxylate
CID 134303281
Methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate
CID 137429496
methyl 3-[[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]thiophene-2-carboxylate
CID 140936189

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine (CID 159987376) is methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine is COC(=O)c1c(C)sc2c(N)nc(-c3ccccn3)nc12.Cc1cc2nc(-c3ccccn3)nc(N)c2s1.Nc1nc(-c2ccccn2)nc2ccsc12.
What is the InChIKey of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OGMVXYMVLWIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S.C12H10N4S.C11H8N4S/c1-7-9(14(19)20-2)10-11(21-7)12(15)18-13(17-10)8-5-3-4-6-16-8;1-7-6-9-10(17-7)11(13)16-12(15-9)8-4-2-3-5-14-8;12-10-9-7(4-6-16-9)14-11(15-10)8-3-1-2-5-13-8/h3-6H,1-2H3,(H2,15,17,18);2-6H,1H3,(H2,13,15,16);1-6H,(H2,12,14,15).
What are the key properties of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 770.93 g/mol, XLogP of 7.41, 4 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159987376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).