5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide

C14H14N4O2S — CID 133403805

IUPAC5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide
SMILESCCc1nc(NCc2ccc(C(N)=O)o2)c2ccsc2n1
InChIInChI=1S/C14H14N4O2S/c1-2-11-17-13(9-5-6-21-14(9)18-11)16-7-8-3-4-10(20-8)12(15)19/h3-6H,2,7H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyMOFKHJGHNHVUJT-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.56
Rot. Bonds5

About 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide

5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide (PubChem CID 133403805) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide
PubChem CID133403805
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide
SMILESCCc1nc(NCc2ccc(C(N)=O)o2)c2ccsc2n1
InChIInChI=1S/C14H14N4O2S/c1-2-11-17-13(9-5-6-21-14(9)18-11)16-7-8-3-4-10(20-8)12(15)19/h3-6H,2,7H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyMOFKHJGHNHVUJT-UHFFFAOYSA-N
XLogP2.56
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404042
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404165
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133403780
2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138046013
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403456
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
CID 62183982
ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133404312
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide (CID 133403805) is 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide is CCc1nc(NCc2ccc(C(N)=O)o2)c2ccsc2n1.
What is the InChIKey of 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
The InChIKey is MOFKHJGHNHVUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-2-11-17-13(9-5-6-21-14(9)18-11)16-7-8-3-4-10(20-8)12(15)19/h3-6H,2,7H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide?
5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 133403805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).