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

C14H13ClFN3S — CID 83191498

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(F)cc2Cl)nc2c1CSC2
InChIInChI=1S/C14H13ClFN3S/c1-17-14-10-6-20-7-12(10)18-13(19-14)4-8-2-3-9(16)5-11(8)15/h2-3,5H,4,6-7H2,1H3,(H,17,18,19)
InChIKeyFYGOPUYTWZOOQM-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.65
Rot. Bonds3

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

2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191498) has the molecular formula C14H13ClFN3S and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191498
Molecular FormulaC14H13ClFN3S
Molecular Weight309.80 g/mol
Exact Mass309.05
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(F)cc2Cl)nc2c1CSC2
InChIInChI=1S/C14H13ClFN3S/c1-17-14-10-6-20-7-12(10)18-13(19-14)4-8-2-3-9(16)5-11(8)15/h2-3,5H,4,6-7H2,1H3,(H,17,18,19)
InChIKeyFYGOPUYTWZOOQM-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

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

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307299
2-(2-bromo-4-fluorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107281484
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302862
N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191494
2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201654
[2-[(2-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201588
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63034218
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine
CID 63355073
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 66302468
2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 63037745
2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200666

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191498) is 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(Cc2ccc(F)cc2Cl)nc2c1CSC2.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is FYGOPUYTWZOOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3S/c1-17-14-10-6-20-7-12(10)18-13(19-14)4-8-2-3-9(16)5-11(8)15/h2-3,5H,4,6-7H2,1H3,(H,17,18,19).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[(2-chloro-4-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-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).