N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C14H12ClN3OS — CID 2402575

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncnc2sccc12
InChIInChI=1S/C14H12ClN3OS/c1-8-5-11(12(19-2)6-10(8)15)18-13-9-3-4-20-14(9)17-7-16-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyUAKJDINJFGNKHA-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.41
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2402575) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2402575
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncnc2sccc12
InChIInChI=1S/C14H12ClN3OS/c1-8-5-11(12(19-2)6-10(8)15)18-13-9-3-4-20-14(9)17-7-16-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyUAKJDINJFGNKHA-UHFFFAOYSA-N
XLogP4.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010737
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 9441357
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 68792044

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2402575) is N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1cc(Cl)c(C)cc1Nc1ncnc2sccc12.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UAKJDINJFGNKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-5-11(12(19-2)6-10(8)15)18-13-9-3-4-20-14(9)17-7-16-13/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.79 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2402575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).