N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C16H16FN3S — CID 102686591

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(F)ccc1CCNc1ncnc2c(C)csc12
InChIInChI=1S/C16H16FN3S/c1-10-7-13(17)4-3-12(10)5-6-18-16-15-14(19-9-20-16)11(2)8-21-15/h3-4,7-9H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyDVKGWEMLZZCMKQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.10
Rot. Bonds4

About N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686591) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686591
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(F)ccc1CCNc1ncnc2c(C)csc12
InChIInChI=1S/C16H16FN3S/c1-10-7-13(17)4-3-12(10)5-6-18-16-15-14(19-9-20-16)11(2)8-21-15/h3-4,7-9H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyDVKGWEMLZZCMKQ-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686591) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1cc(F)ccc1CCNc1ncnc2c(C)csc12.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DVKGWEMLZZCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-10-7-13(17)4-3-12(10)5-6-18-16-15-14(19-9-20-16)11(2)8-21-15/h3-4,7-9H,5-6H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).