N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H14FN3OS — CID 62193882

IUPACN-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(COc2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C15H14FN3OS/c1-2-17-14-12-7-8-21-15(12)19-13(18-14)9-20-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18,19)
InChIKeyWHWXFKKCVPDKPR-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.84
Rot. Bonds5

About N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193882) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62193882
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC NameN-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(COc2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C15H14FN3OS/c1-2-17-14-12-7-8-21-15(12)19-13(18-14)9-20-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18,19)
InChIKeyWHWXFKKCVPDKPR-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
CID 62246202
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188844
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184037
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63486940
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246555
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62193882) is N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(COc2ccc(F)cc2)nc2sccc12.
What is the InChIKey of N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WHWXFKKCVPDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-2-17-14-12-7-8-21-15(12)19-13(18-14)9-20-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).