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

C15H14ClN3OS — CID 103332822

IUPAC4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCc2cccc(Cl)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H14ClN3OS/c1-9-6-12-13(18-15(17-2)19-14(12)21-9)20-8-10-4-3-5-11(16)7-10/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyWXYGFAVUFPEZCE-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.27
Rot. Bonds4

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

4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332822) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332822
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCc2cccc(Cl)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H14ClN3OS/c1-9-6-12-13(18-15(17-2)19-14(12)21-9)20-8-10-4-3-5-11(16)7-10/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyWXYGFAVUFPEZCE-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332823
4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103333313
(6-methyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336044
4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
CID 80876322
4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331886
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934
4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80876394
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332952
6-ethyl-4-(furan-2-ylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331380
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103335086
[4-(4-chloro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336203

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103332822) is 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(OCc2cccc(Cl)c2)c2cc(C)sc2n1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WXYGFAVUFPEZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-9-6-12-13(18-15(17-2)19-14(12)21-9)20-8-10-4-3-5-11(16)7-10/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).