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

C13H10ClN3OS — CID 82316516

IUPAC4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCOc1cccc(Nc2nc(Cl)c3ccsc3n2)c1
InChIInChI=1S/C13H10ClN3OS/c1-18-9-4-2-3-8(7-9)15-13-16-11(14)10-5-6-19-12(10)17-13/h2-7H,1H3,(H,15,16,17)
InChIKeyAQVQZXHMVRWOLN-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.10
Rot. Bonds3

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

4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 82316516) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID82316516
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCOc1cccc(Nc2nc(Cl)c3ccsc3n2)c1
InChIInChI=1S/C13H10ClN3OS/c1-18-9-4-2-3-8(7-9)15-13-16-11(14)10-5-6-19-12(10)17-13/h2-7H,1H3,(H,15,16,17)
InChIKeyAQVQZXHMVRWOLN-UHFFFAOYSA-N
XLogP4.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 115001203
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
methyl 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 93214104
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine (CID 82316516) is 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine is COc1cccc(Nc2nc(Cl)c3ccsc3n2)c1.
What is the InChIKey of 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AQVQZXHMVRWOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-18-9-4-2-3-8(7-9)15-13-16-11(14)10-5-6-19-12(10)17-13/h2-7H,1H3,(H,15,16,17).
What are the key properties of 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82316516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).