2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H14ClN3OS — CID 82065833

IUPAC2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3nc(Cl)nc(N(C)C)c23)cc1
InChIInChI=1S/C15H14ClN3OS/c1-19(2)13-12-11(8-21-14(12)18-15(16)17-13)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3
InChIKeyHAYGUHYVLVDTQF-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine

2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 82065833) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID82065833
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3nc(Cl)nc(N(C)C)c23)cc1
InChIInChI=1S/C15H14ClN3OS/c1-19(2)13-12-11(8-21-14(12)18-15(16)17-13)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3
InChIKeyHAYGUHYVLVDTQF-UHFFFAOYSA-N
XLogP4.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95507132
2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066336
2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 1038088
2-chloro-4-(4-methoxyphenyl)thiophen-3-amine
CID 114749329
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 171393605
4-chloro-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011514
5-(4-methoxyphenyl)-2-(2-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 876971
2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 16553270
4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene
CID 15422647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 82065833) is 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3nc(Cl)nc(N(C)C)c23)cc1.
What is the InChIKey of 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HAYGUHYVLVDTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-19(2)13-12-11(8-21-14(12)18-15(16)17-13)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3.
What are the key properties of 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.82 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxyphenyl)-N,N-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82065833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).