[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine

C15H14ClN3OS — CID 114323825

IUPAC[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1sc2ncnc(Oc3cccc(Cl)c3CN)c2c1C
InChIInChI=1S/C15H14ClN3OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-12-5-3-4-11(16)10(12)6-17/h3-5,7H,6,17H2,1-2H3
InChIKeyWUMSCMJWTMTPIV-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.21
Rot. Bonds3

About [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine

[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine (PubChem CID 114323825) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
PubChem CID114323825
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1sc2ncnc(Oc3cccc(Cl)c3CN)c2c1C
InChIInChI=1S/C15H14ClN3OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-12-5-3-4-11(16)10(12)6-17/h3-5,7H,6,17H2,1-2H3
InChIKeyWUMSCMJWTMTPIV-UHFFFAOYSA-N
XLogP4.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 4017331
4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
CID 114323838
(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 114323860
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18267648
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 3298243
[2-chloro-6-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yloxy)phenyl]methanamine
CID 114323882

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine (CID 114323825) is [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine is Cc1sc2ncnc(Oc3cccc(Cl)c3CN)c2c1C.
What is the InChIKey of [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The InChIKey is WUMSCMJWTMTPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-12-5-3-4-11(16)10(12)6-17/h3-5,7H,6,17H2,1-2H3.
What are the key properties of [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine?
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine has a molecular weight of 319.82 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 114323825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).