2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C14H14FN3OS — CID 83200666

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)c(F)c2)nc2c1CSC2
InChIInChI=1S/C14H14FN3OS/c1-16-14-9-6-20-7-11(9)17-13(18-14)8-3-4-12(19-2)10(15)5-8/h3-5H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyJFBGWVXJSZWACY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.08
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83200666) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83200666
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)c(F)c2)nc2c1CSC2
InChIInChI=1S/C14H14FN3OS/c1-16-14-9-6-20-7-11(9)17-13(18-14)8-3-4-12(19-2)10(15)5-8/h3-5H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyJFBGWVXJSZWACY-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83200666) is 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(-c2ccc(OC)c(F)c2)nc2c1CSC2.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is JFBGWVXJSZWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-16-14-9-6-20-7-11(9)17-13(18-14)8-3-4-12(19-2)10(15)5-8/h3-5H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83200666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).