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

C18H18N6OS — CID 135234242

IUPACN-(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
InChIInChI=1S/C18H18N6OS/c1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-8H,2,9-10,19H2,1H3,(H,22,23,25)
InChIKeyRLGILGRWYTZJEA-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.29
Rot. Bonds3

About N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-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 135234242) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 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-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID135234242
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC NameN-(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
InChIInChI=1S/C18H18N6OS/c1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-8H,2,9-10,19H2,1H3,(H,22,23,25)
InChIKeyRLGILGRWYTZJEA-UHFFFAOYSA-N
XLogP3.29
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide
CID 24768405
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
4-(2-Fluorophenyl)-12-(thiophen-2-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10927005
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]formamide
CID 25093442
({3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)urea
CID 25093445
(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)urea
CID 25093450
(S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54587120

Frequently Asked Questions

What is the IUPAC name of 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-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 135234242) is 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-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 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.
What is the InChIKey of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is RLGILGRWYTZJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-8H,2,9-10,19H2,1H3,(H,22,23,25).
What are the key properties of N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-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 366.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 135234242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).