5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C18H22N6O3S — CID 58125858

IUPAC5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(NCCN3CCOCC3)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C18H22N6O3S/c1-10-2-3-11(27-10)14-12-13(19)15(16(20)25)28-17(12)23-18(22-14)21-4-5-24-6-8-26-9-7-24/h2-3H,4-9,19H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyHIAXTCQQGBQGTH-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.68
Rot. Bonds6

About 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58125858) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58125858
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC Name5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(NCCN3CCOCC3)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C18H22N6O3S/c1-10-2-3-11(27-10)14-12-13(19)15(16(20)25)28-17(12)23-18(22-14)21-4-5-24-6-8-26-9-7-24/h2-3H,4-9,19H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyHIAXTCQQGBQGTH-UHFFFAOYSA-N
XLogP1.68
TPSA132.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68631893
5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 67288414
5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 58125855
[5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68631443
3-amino-4,6-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997925
5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide
CID 67288768
3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 59486179
5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513310
dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate
CID 158393610
5-amino-4-(3,4-dichlorophenyl)-2-(3-methoxypropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647118
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 90322943

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 58125858) is 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(NCCN3CCOCC3)nc3sc(C(N)=O)c(N)c23)o1.
What is the InChIKey of 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HIAXTCQQGBQGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-10-2-3-11(27-10)14-12-13(19)15(16(20)25)28-17(12)23-18(22-14)21-4-5-24-6-8-26-9-7-24/h2-3H,4-9,19H2,1H3,(H2,20,25)(H,21,22,23).
What are the key properties of 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58125858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).