6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride

C13H15Cl2N3OS — CID 2837436

IUPAC6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCCc1cc2c(NCc3ccco3)ncnc2s1.Cl.Cl
InChIInChI=1S/C13H13N3OS.2ClH/c1-2-10-6-11-12(15-8-16-13(11)18-10)14-7-9-4-3-5-17-9;;/h3-6,8H,2,7H2,1H3,(H,14,15,16);2*1H
InChIKeyIBVCIACQXLIMJX-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.30
Rot. Bonds4

About 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride

6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 2837436) has the molecular formula C13H15Cl2N3OS and a molecular weight of 332.26 g/mol. Its IUPAC name is 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
PubChem CID2837436
Molecular FormulaC13H15Cl2N3OS
Molecular Weight332.26 g/mol
Exact Mass331.03
IUPAC Name6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCCc1cc2c(NCc3ccco3)ncnc2s1.Cl.Cl
InChIInChI=1S/C13H13N3OS.2ClH/c1-2-10-6-11-12(15-8-16-13(11)18-10)14-7-9-4-3-5-17-9;;/h3-6,8H,2,7H2,1H3,(H,14,15,16);2*1H
InChIKeyIBVCIACQXLIMJX-UHFFFAOYSA-N
XLogP4.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
6-ethyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133379932
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133332090
N-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 90088078
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide
CID 39085005
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133314889

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride (CID 2837436) is 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride is CCc1cc2c(NCc3ccco3)ncnc2s1.Cl.Cl.
What is the InChIKey of 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is IBVCIACQXLIMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS.2ClH/c1-2-10-6-11-12(15-8-16-13(11)18-10)14-7-9-4-3-5-17-9;;/h3-6,8H,2,7H2,1H3,(H,14,15,16);2*1H.
What are the key properties of 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?
6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 332.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 2837436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).