4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine

C14H12ClN3OS — CID 103332823

IUPAC4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(OCc3cccc(Cl)c3)nc(N)nc2s1
InChIInChI=1S/C14H12ClN3OS/c1-8-5-11-12(17-14(16)18-13(11)20-8)19-7-9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyOEVNRISMCBMYMV-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.81
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine

4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332823) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332823
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(OCc3cccc(Cl)c3)nc(N)nc2s1
InChIInChI=1S/C14H12ClN3OS/c1-8-5-11-12(17-14(16)18-13(11)20-8)19-7-9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyOEVNRISMCBMYMV-UHFFFAOYSA-N
XLogP3.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332822
(6-methyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336044
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103332823) is 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(OCc3cccc(Cl)c3)nc(N)nc2s1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is OEVNRISMCBMYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-5-11-12(17-14(16)18-13(11)20-8)19-7-9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H2,16,17,18).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.79 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).