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

C14H13ClFN3S — CID 83191391

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(Cl)c2F)nc2c1CSC2
InChIInChI=1S/C14H13ClFN3S/c1-17-14-9-6-20-7-11(9)18-12(19-14)5-8-3-2-4-10(15)13(8)16/h2-4H,5-7H2,1H3,(H,17,18,19)
InChIKeyXOLISCZRSYPUAW-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.65
Rot. Bonds3

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

2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191391) has the molecular formula C14H13ClFN3S and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191391
Molecular FormulaC14H13ClFN3S
Molecular Weight309.80 g/mol
Exact Mass309.05
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(Cl)c2F)nc2c1CSC2
InChIInChI=1S/C14H13ClFN3S/c1-17-14-9-6-20-7-11(9)18-12(19-14)5-8-3-2-4-10(15)13(8)16/h2-4H,5-7H2,1H3,(H,17,18,19)
InChIKeyXOLISCZRSYPUAW-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 82805386
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667
N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191494
4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 82802480
[2-[(2-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201588
2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192982
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190443
2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200586
2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191077
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738674
2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200997
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 82790822

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191391) is 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(Cc2cccc(Cl)c2F)nc2c1CSC2.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is XOLISCZRSYPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3S/c1-17-14-9-6-20-7-11(9)18-12(19-14)5-8-3-2-4-10(15)13(8)16/h2-4H,5-7H2,1H3,(H,17,18,19).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).