N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H12ClN3S — CID 4288325

IUPACN-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2s1
InChIInChI=1S/C14H12ClN3S/c1-8-3-4-10(6-12(8)15)18-13-11-5-9(2)19-14(11)17-7-16-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyJNIYPXYEGJIVJH-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.71
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4288325) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4288325
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC NameN-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2s1
InChIInChI=1S/C14H12ClN3S/c1-8-3-4-10(6-12(8)15)18-13-11-5-9(2)19-14(11)17-7-16-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyJNIYPXYEGJIVJH-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 63617886
6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2974524
N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 65027620
2-N,2-N-dimethyl-5-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 133408655
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011540
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22546640
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4531059
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80931413
6-N-(3-chloro-4-methylphenyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22546620

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 4288325) is N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2s1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JNIYPXYEGJIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-8-3-4-10(6-12(8)15)18-13-11-5-9(2)19-14(11)17-7-16-13/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4288325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).