(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine

C13H10ClN3OS — CID 114323860

IUPAC(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
SMILESNCc1c(Cl)cccc1Oc1ncnc2ccsc12
InChIInChI=1S/C13H10ClN3OS/c14-9-2-1-3-11(8(9)6-15)18-13-12-10(4-5-19-12)16-7-17-13/h1-5,7H,6,15H2
InChIKeyPSQRWNWJEMTDQZ-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.60
Rot. Bonds3

About (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine

(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine (PubChem CID 114323860) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
PubChem CID114323860
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
SMILESNCc1c(Cl)cccc1Oc1ncnc2ccsc12
InChIInChI=1S/C13H10ClN3OS/c14-9-2-1-3-11(8(9)6-15)18-13-12-10(4-5-19-12)16-7-17-13/h1-5,7H,6,15H2
InChIKeyPSQRWNWJEMTDQZ-UHFFFAOYSA-N
XLogP3.60
TPSA61.03 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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
CID 114323838
3-chloro-4-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43364090
(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 107657529
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
[2-chloro-6-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yloxy)phenyl]methanamine
CID 114323882
4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43520274
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine
CID 114323843
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine
CID 64574048
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
The IUPAC name of (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine (CID 114323860) is (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
The canonical SMILES for (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine is NCc1c(Cl)cccc1Oc1ncnc2ccsc12.
What is the InChIKey of (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
The InChIKey is PSQRWNWJEMTDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-9-2-1-3-11(8(9)6-15)18-13-12-10(4-5-19-12)16-7-17-13/h1-5,7H,6,15H2.
What are the key properties of (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine has a molecular weight of 291.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine is sourced from PubChem (CID 114323860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).