6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C23H19N5OS — CID 68623607

IUPAC6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccn2)nc2sc(Cc3ccco3)c(-c3ccccc3)c12
InChIInChI=1S/C23H19N5OS/c24-21-20-19(15-7-2-1-3-8-15)18(13-17-10-6-12-29-17)30-22(20)28-23(27-21)26-14-16-9-4-5-11-25-16/h1-12H,13-14H2,(H3,24,26,27,28)
InChIKeyCKCUIVJWEHGSFN-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.13
Rot. Bonds6

About 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 68623607) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID68623607
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccn2)nc2sc(Cc3ccco3)c(-c3ccccc3)c12
InChIInChI=1S/C23H19N5OS/c24-21-20-19(15-7-2-1-3-8-15)18(13-17-10-6-12-29-17)30-22(20)28-23(27-21)26-14-16-9-4-5-11-25-16/h1-12H,13-14H2,(H3,24,26,27,28)
InChIKeyCKCUIVJWEHGSFN-UHFFFAOYSA-N
XLogP5.13
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-diamine
CID 150095839
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
6-(furan-2-ylmethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 123393467
4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103382621
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 171984806
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine
CID 59732402
2-[6-methyl-5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]propane-1,3-diol
CID 67382100
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 20622527

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 68623607) is 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(NCc2ccccn2)nc2sc(Cc3ccco3)c(-c3ccccc3)c12.
What is the InChIKey of 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CKCUIVJWEHGSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c24-21-20-19(15-7-2-1-3-8-15)18(13-17-10-6-12-29-17)30-22(20)28-23(27-21)26-14-16-9-4-5-11-25-16/h1-12H,13-14H2,(H3,24,26,27,28).
What are the key properties of 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 413.51 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-5-phenyl-2-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68623607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).