4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C20H17N5O2S — CID 45275521

IUPAC4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(C3CC3)o2)nc2sc(C(=O)NCc3cccnc3)cc12
InChIInChI=1S/C20H17N5O2S/c21-17-13-8-16(19(26)23-10-11-2-1-7-22-9-11)28-20(13)25-18(24-17)15-6-5-14(27-15)12-3-4-12/h1-2,5-9,12H,3-4,10H2,(H,23,26)(H2,21,24,25)
InChIKeyBLNDJJBRBCLXGA-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.74
Rot. Bonds5

About 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45275521) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45275521
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(C3CC3)o2)nc2sc(C(=O)NCc3cccnc3)cc12
InChIInChI=1S/C20H17N5O2S/c21-17-13-8-16(19(26)23-10-11-2-1-7-22-9-11)28-20(13)25-18(24-17)15-6-5-14(27-15)12-3-4-12/h1-2,5-9,12H,3-4,10H2,(H,23,26)(H2,21,24,25)
InChIKeyBLNDJJBRBCLXGA-UHFFFAOYSA-N
XLogP3.74
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171080
4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275524
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 9467826
10-methyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158455
4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 90764881
4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116669160
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602416

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45275521) is 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Nc1nc(-c2ccc(C3CC3)o2)nc2sc(C(=O)NCc3cccnc3)cc12.
What is the InChIKey of 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BLNDJJBRBCLXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c21-17-13-8-16(19(26)23-10-11-2-1-7-22-9-11)28-20(13)25-18(24-17)15-6-5-14(27-15)12-3-4-12/h1-2,5-9,12H,3-4,10H2,(H,23,26)(H2,21,24,25).
What are the key properties of 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45275521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).