5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide

C17H16N6O3S — CID 67288768

IUPAC5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(OC(C)c3cn[nH]c3)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C17H16N6O3S/c1-7-3-4-10(25-7)13-11-12(18)14(15(19)24)27-16(11)23-17(22-13)26-8(2)9-5-20-21-6-9/h3-6,8H,18H2,1-2H3,(H2,19,24)(H,20,21)
InChIKeyBXITYNMVMMYCAQ-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.80
Rot. Bonds5

About 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67288768) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID67288768
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(OC(C)c3cn[nH]c3)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C17H16N6O3S/c1-7-3-4-10(25-7)13-11-12(18)14(15(19)24)27-16(11)23-17(22-13)26-8(2)9-5-20-21-6-9/h3-6,8H,18H2,1-2H3,(H2,19,24)(H,20,21)
InChIKeyBXITYNMVMMYCAQ-UHFFFAOYSA-N
XLogP2.80
TPSA145.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.80
H-Bond Donors ≤ 53
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-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide (CID 67288768) is 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(OC(C)c3cn[nH]c3)nc3sc(C(N)=O)c(N)c23)o1.
What is the InChIKey of 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BXITYNMVMMYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-7-3-4-10(25-7)13-11-12(18)14(15(19)24)27-16(11)23-17(22-13)26-8(2)9-5-20-21-6-9/h3-6,8H,18H2,1-2H3,(H2,19,24)(H,20,21).
What are the key properties of 5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(5-methylfuran-2-yl)-2-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 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-[1-(1H-pyrazol-4-yl)ethoxy]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67288768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).