6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine

C17H14N4OS — CID 150095839

IUPAC6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccccc3)c(Cc3ccco3)sc2n1
InChIInChI=1S/C17H14N4OS/c18-15-14-13(10-5-2-1-3-6-10)12(9-11-7-4-8-22-11)23-16(14)21-17(19)20-15/h1-8H,9H2,(H4,18,19,20,21)
InChIKeyDUFBEILHZGZNET-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.71
Rot. Bonds3

About 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine

6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 150095839) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID150095839
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccccc3)c(Cc3ccco3)sc2n1
InChIInChI=1S/C17H14N4OS/c18-15-14-13(10-5-2-1-3-6-10)12(9-11-7-4-8-22-11)23-16(14)21-17(19)20-15/h1-8H,9H2,(H4,18,19,20,21)
InChIKeyDUFBEILHZGZNET-UHFFFAOYSA-N
XLogP3.71
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 68623607
6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 123393467
5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 509248
5-[2-(furan-2-yl)ethyl]-4-phenyl-1,2-oxazol-3-amine
CID 66198915
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
CID 117259115
2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 154681301
4-(furan-2-ylmethyl)pyridine-2,3-diamine;molecular nitrogen
CID 86744557
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 154099945
4-(furan-2-ylmethyl)-N,N-diphenylaniline
CID 135174405
2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
CID 117259797
5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
CID 163998742

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine (CID 150095839) is 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(-c3ccccc3)c(Cc3ccco3)sc2n1.
What is the InChIKey of 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DUFBEILHZGZNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c18-15-14-13(10-5-2-1-3-6-10)12(9-11-7-4-8-22-11)23-16(14)21-17(19)20-15/h1-8H,9H2,(H4,18,19,20,21).
What are the key properties of 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine?
6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 322.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 150095839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).