4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H19N5O3S — CID 126467276

IUPAC4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C(C)c2ccon2)sc2ncnc(NCc3ccco3)c12
InChIInChI=1S/C19H19N5O3S/c1-11-15-17(20-9-13-5-4-7-26-13)21-10-22-18(15)28-16(11)19(25)24(3)12(2)14-6-8-27-23-14/h4-8,10,12H,9H2,1-3H3,(H,20,21,22)
InChIKeyWHIVVXNJLBXOPJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.03
Rot. Bonds6

About 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 126467276) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID126467276
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C(C)c2ccon2)sc2ncnc(NCc3ccco3)c12
InChIInChI=1S/C19H19N5O3S/c1-11-15-17(20-9-13-5-4-7-26-13)21-10-22-18(15)28-16(11)19(25)24(3)12(2)14-6-8-27-23-14/h4-8,10,12H,9H2,1-3H3,(H,20,21,22)
InChIKeyWHIVVXNJLBXOPJ-UHFFFAOYSA-N
XLogP4.03
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 126467276) is 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C(C)c2ccon2)sc2ncnc(NCc3ccco3)c12.
What is the InChIKey of 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WHIVVXNJLBXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-11-15-17(20-9-13-5-4-7-26-13)21-10-22-18(15)28-16(11)19(25)24(3)12(2)14-6-8-27-23-14/h4-8,10,12H,9H2,1-3H3,(H,20,21,22).
What are the key properties of 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-N,5-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 126467276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).