N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide

C17H17N3O3S — CID 6539739

IUPACN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide
SMILESCOc1ccc(-c2cc3c(NC(=O)CCSC)ncnc3o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-22-12-5-3-11(4-6-12)14-9-13-16(18-10-19-17(13)23-14)20-15(21)7-8-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyUUFYPVYZDHBVAQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.59
Rot. Bonds6

About N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide

N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide (PubChem CID 6539739) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide
PubChem CID6539739
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide
SMILESCOc1ccc(-c2cc3c(NC(=O)CCSC)ncnc3o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-22-12-5-3-11(4-6-12)14-9-13-16(18-10-19-17(13)23-14)20-15(21)7-8-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyUUFYPVYZDHBVAQ-UHFFFAOYSA-N
XLogP3.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide (CID 6539739) is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide is COc1ccc(-c2cc3c(NC(=O)CCSC)ncnc3o2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide?
The InChIKey is UUFYPVYZDHBVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-12-5-3-11(4-6-12)14-9-13-16(18-10-19-17(13)23-14)20-15(21)7-8-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide?
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide has a molecular weight of 343.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 6539739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).