2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C19H17N3OS — CID 68622626

IUPAC2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccco2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H17N3OS/c1-2-16-21-18(20-11-14-9-6-10-23-14)17-15(12-24-19(17)22-16)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,21,22)
InChIKeyCXSSJMPSLOYTSZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.13
Rot. Bonds5

About 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 68622626) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID68622626
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccco2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H17N3OS/c1-2-16-21-18(20-11-14-9-6-10-23-14)17-15(12-24-19(17)22-16)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,21,22)
InChIKeyCXSSJMPSLOYTSZ-UHFFFAOYSA-N
XLogP5.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2371805
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 133278807
2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278781
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-methyl-4-[[[2-(methylsulfanylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
CID 154872577
N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16605764
N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2487092
2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278788

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 68622626) is 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2ccco2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CXSSJMPSLOYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-2-16-21-18(20-11-14-9-6-10-23-14)17-15(12-24-19(17)22-16)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,20,21,22).
What are the key properties of 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68622626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).