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

C14H12ClN3OS — CID 171393605

IUPAC2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3ccsc23)cc1
InChIInChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)13-12-11(7-8-20-12)16-14(15)17-13/h3-8H,1-2H3
InChIKeyHORXFYJUOOLKSX-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.12
Rot. Bonds3

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

2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 171393605) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID171393605
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3ccsc23)cc1
InChIInChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)13-12-11(7-8-20-12)16-14(15)17-13/h3-8H,1-2H3
InChIKeyHORXFYJUOOLKSX-UHFFFAOYSA-N
XLogP4.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
CID 16666965
2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 130535565
2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 112750193
2-chloro-N-(4-methoxyphenyl)-N-methyl-6-nitroquinazolin-4-amine
CID 11609884
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 11325910
N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 35790116
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82065833
2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 70584896
N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55142521
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 171393605) is 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(Cl)nc3ccsc23)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HORXFYJUOOLKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)13-12-11(7-8-20-12)16-14(15)17-13/h3-8H,1-2H3.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 305.79 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 171393605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).