4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine

C15H13ClN2S — CID 63614533

IUPAC4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(Cc2nc(Cl)c3cc(C)sc3n2)cc1
InChIInChI=1S/C15H13ClN2S/c1-9-3-5-11(6-4-9)8-13-17-14(16)12-7-10(2)19-15(12)18-13/h3-7H,8H2,1-2H3
InChIKeyNWYMWMAPNXMEJL-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.55
Rot. Bonds2

About 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine

4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine (PubChem CID 63614533) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
PubChem CID63614533
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(Cc2nc(Cl)c3cc(C)sc3n2)cc1
InChIInChI=1S/C15H13ClN2S/c1-9-3-5-11(6-4-9)8-13-17-14(16)12-7-10(2)19-15(12)18-13/h3-7H,8H2,1-2H3
InChIKeyNWYMWMAPNXMEJL-UHFFFAOYSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63617005
[6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63618225
4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614703
12-chloro-10-[(4-methylphenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
CID 63498572
[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
CID 95528650
2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965023
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine (CID 63614533) is 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine is Cc1ccc(Cc2nc(Cl)c3cc(C)sc3n2)cc1.
What is the InChIKey of 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is NWYMWMAPNXMEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-9-3-5-11(6-4-9)8-13-17-14(16)12-7-10(2)19-15(12)18-13/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine?
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 288.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 63614533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).