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

C18H15N5O3S — CID 67289480

IUPAC5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(OCc3ccncc3)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C18H15N5O3S/c1-9-2-3-11(26-9)14-12-13(19)15(16(20)24)27-17(12)23-18(22-14)25-8-10-4-6-21-7-5-10/h2-7H,8,19H2,1H3,(H2,20,24)
InChIKeyJYXRXQXJHOEWRI-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.91
Rot. Bonds5

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

5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67289480) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID67289480
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(OCc3ccncc3)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C18H15N5O3S/c1-9-2-3-11(26-9)14-12-13(19)15(16(20)24)27-17(12)23-18(22-14)25-8-10-4-6-21-7-5-10/h2-7H,8,19H2,1H3,(H2,20,24)
InChIKeyJYXRXQXJHOEWRI-UHFFFAOYSA-N
XLogP2.91
TPSA130.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide (CID 67289480) is 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(OCc3ccncc3)nc3sc(C(N)=O)c(N)c23)o1.
What is the InChIKey of 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JYXRXQXJHOEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-9-2-3-11(26-9)14-12-13(19)15(16(20)24)27-17(12)23-18(22-14)25-8-10-4-6-21-7-5-10/h2-7H,8,19H2,1H3,(H2,20,24).
What are the key properties of 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-methylfuran-2-yl)-2-(pyridin-4-ylmethoxy)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67289480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).