4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine

C14H10ClFN2S — CID 63614703

IUPAC4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(Cc3ccccc3F)nc2s1
InChIInChI=1S/C14H10ClFN2S/c1-8-6-10-13(15)17-12(18-14(10)19-8)7-9-4-2-3-5-11(9)16/h2-6H,7H2,1H3
InChIKeyOOQSJAJVPOWVTH-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine

4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 63614703) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID63614703
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(Cc3ccccc3F)nc2s1
InChIInChI=1S/C14H10ClFN2S/c1-8-6-10-13(15)17-12(18-14(10)19-8)7-9-4-2-3-5-11(9)16/h2-6H,7H2,1H3
InChIKeyOOQSJAJVPOWVTH-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 63614541
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
CID 95528650
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63618388
4-chloro-2-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 55247605
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine (CID 63614703) is 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(Cc3ccccc3F)nc2s1.
What is the InChIKey of 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is OOQSJAJVPOWVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c1-8-6-10-13(15)17-12(18-14(10)19-8)7-9-4-2-3-5-11(9)16/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 292.77 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63614703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).