5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H18N4O4S — CID 67288414

IUPAC5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(O[C@H](C)[C@@H](C)O)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C16H18N4O4S/c1-6-4-5-9(23-6)12-10-11(17)13(14(18)22)25-15(10)20-16(19-12)24-8(3)7(2)21/h4-5,7-8,21H,17H2,1-3H3,(H2,18,22)/t7-,8-/m1/s1
InChIKeyKNPGIRRDIVCXFA-HTQZYQBOSA-N
MW362.41 g/mol
LogP2.09
Rot. Bonds5

About 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67288414) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID67288414
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(O[C@H](C)[C@@H](C)O)nc3sc(C(N)=O)c(N)c23)o1
InChIInChI=1S/C16H18N4O4S/c1-6-4-5-9(23-6)12-10-11(17)13(14(18)22)25-15(10)20-16(19-12)24-8(3)7(2)21/h4-5,7-8,21H,17H2,1-3H3,(H2,18,22)/t7-,8-/m1/s1
InChIKeyKNPGIRRDIVCXFA-HTQZYQBOSA-N
XLogP2.09
TPSA137.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 67288414) is 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(O[C@H](C)[C@@H](C)O)nc3sc(C(N)=O)c(N)c23)o1.
What is the InChIKey of 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KNPGIRRDIVCXFA-HTQZYQBOSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-6-4-5-9(23-6)12-10-11(17)13(14(18)22)25-15(10)20-16(19-12)24-8(3)7(2)21/h4-5,7-8,21H,17H2,1-3H3,(H2,18,22)/t7-,8-/m1/s1.
What are the key properties of 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2R,3R)-3-hydroxybutan-2-yl]oxy-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67288414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).