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

C13H10ClN3OS — CID 112750193

IUPAC2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)nc3ccsc23)cc1
InChIInChI=1S/C13H10ClN3OS/c1-18-9-4-2-8(3-5-9)15-12-11-10(6-7-19-11)16-13(14)17-12/h2-7H,1H3,(H,15,16,17)
InChIKeyYISULVTUTIOXOA-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.10
Rot. Bonds3

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

2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 112750193) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID112750193
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)nc3ccsc23)cc1
InChIInChI=1S/C13H10ClN3OS/c1-18-9-4-2-8(3-5-9)15-12-11-10(6-7-19-11)16-13(14)17-12/h2-7H,1H3,(H,15,16,17)
InChIKeyYISULVTUTIOXOA-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

N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine
CID 71193819
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 171393605
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 112750287
2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 112750238
2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine
CID 144695477
1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 172559045
2-chloro-4-(4-methoxyanilino)pyrimidine-5-carbonitrile
CID 146277764
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 112750193) is 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is COc1ccc(Nc2nc(Cl)nc3ccsc23)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YISULVTUTIOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-18-9-4-2-8(3-5-9)15-12-11-10(6-7-19-11)16-13(14)17-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-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 2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 112750193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).