N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C36H36N12O2S2 — CID 157084665

IUPACN-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCCc1ncc2c(n1)CN(C(=O)Nc1nc(-c3cccs3)ccc1N)C2.Cc1ncc2c(n1)CN(C(=O)Nc1nc(-c3ccc(C)s3)ccc1N)C2
InChIInChI=1S/2C18H18N6OS/c1-10-3-6-16(26-10)14-5-4-13(19)17(22-14)23-18(25)24-8-12-7-20-11(2)21-15(12)9-24;1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-7H,8-9,19H2,1-2H3,(H,22,23,25);3-8H,2,9-10,19H2,1H3,(H,22,23,25)
InChIKeyADYLJSXASXAKFX-UHFFFAOYSA-N
MW732.90 g/mol
LogP6.64
Rot. Bonds5

About N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 157084665) has the molecular formula C36H36N12O2S2 and a molecular weight of 732.90 g/mol. Its IUPAC name is N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID157084665
Molecular FormulaC36H36N12O2S2
Molecular Weight732.90 g/mol
Exact Mass732.25
IUPAC NameN-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCCc1ncc2c(n1)CN(C(=O)Nc1nc(-c3cccs3)ccc1N)C2.Cc1ncc2c(n1)CN(C(=O)Nc1nc(-c3ccc(C)s3)ccc1N)C2
InChIInChI=1S/2C18H18N6OS/c1-10-3-6-16(26-10)14-5-4-13(19)17(22-14)23-18(25)24-8-12-7-20-11(2)21-15(12)9-24;1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-7H,8-9,19H2,1-2H3,(H,22,23,25);3-8H,2,9-10,19H2,1H3,(H,22,23,25)
InChIKeyADYLJSXASXAKFX-UHFFFAOYSA-N
XLogP6.64
TPSA194.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500732.90
LogP ≤ 56.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N2-(4-Aminocyclohexyl)-9-cyclopentyl-N6-((6-(thiophen-2-yl)pyridin-3-yl)methyl)-9H-purine-2,6-diamine
CID 71817796
(S)-1-ethyl-3-(1-(4-(thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54581236
(S)-3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54585156
N-(5-piperazin-1-yl-2-pyridinyl)-8-(thiophen-2-ylmethyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299958
N-(5-piperazin-1-yl-2-pyridinyl)-8-(thiophen-3-ylmethyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300203
N1-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-1-thiophen-3-yl-propane-1,3-diamine
CID 66546144
1-Phenyl-3-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-urea
CID 89587405
1-tert-butyl-3-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]urea
CID 89596453
1,1-dimethyl-3-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]urea
CID 89596465
1-methyl-3-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]urea
CID 89596466
N-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]piperidine-1-carboxamide
CID 89596474
2-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596551

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 157084665) is N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is CCc1ncc2c(n1)CN(C(=O)Nc1nc(-c3cccs3)ccc1N)C2.Cc1ncc2c(n1)CN(C(=O)Nc1nc(-c3ccc(C)s3)ccc1N)C2.
What is the InChIKey of N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is ADYLJSXASXAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18N6OS/c1-10-3-6-16(26-10)14-5-4-13(19)17(22-14)23-18(25)24-8-12-7-20-11(2)21-15(12)9-24;1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-7H,8-9,19H2,1-2H3,(H,22,23,25);3-8H,2,9-10,19H2,1H3,(H,22,23,25).
What are the key properties of N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 732.90 g/mol, XLogP of 6.64, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 157084665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).