N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H11Cl2N3S — CID 9195393

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1ncnc2sccc12
InChIInChI=1S/C14H11Cl2N3S/c1-19(7-9-2-3-11(15)12(16)6-9)13-10-4-5-20-14(10)18-8-17-13/h2-6,8H,7H2,1H3
InChIKeyZTSKTKCOPTWRSA-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.63
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9195393) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9195393
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1ncnc2sccc12
InChIInChI=1S/C14H11Cl2N3S/c1-19(7-9-2-3-11(15)12(16)6-9)13-10-4-5-20-14(10)18-8-17-13/h2-6,8H,7H2,1H3
InChIKeyZTSKTKCOPTWRSA-UHFFFAOYSA-N
XLogP4.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chlorophenoxy)propyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 71891705
N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195570
N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
CID 79653232
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133431087
3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide
CID 43140044
N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62587122
methyl 4-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 62004620
N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 8566631
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 2498077
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 9195393) is N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CN(Cc1ccc(Cl)c(Cl)c1)c1ncnc2sccc12.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZTSKTKCOPTWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-19(7-9-2-3-11(15)12(16)6-9)13-10-4-5-20-14(10)18-8-17-13/h2-6,8H,7H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.24 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9195393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).