2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C15H15N3OS — CID 61025987

IUPAC2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Cc2nc(N)c3cc(C)sc3n2)c1
InChIInChI=1S/C15H15N3OS/c1-9-6-12-14(16)17-13(18-15(12)20-9)8-10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyIDGPVNLOHSBDJZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.18
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 61025987) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID61025987
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Cc2nc(N)c3cc(C)sc3n2)c1
InChIInChI=1S/C15H15N3OS/c1-9-6-12-14(16)17-13(18-15(12)20-9)8-10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyIDGPVNLOHSBDJZ-UHFFFAOYSA-N
XLogP3.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-2-[(3-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647516
[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 91965057
4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
CID 18938913
6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 63561150
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354
[2-[(3-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204972
2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 1451575
2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91339578
2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678
2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964960

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 61025987) is 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is COc1cccc(Cc2nc(N)c3cc(C)sc3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IDGPVNLOHSBDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-6-12-14(16)17-13(18-15(12)20-9)8-10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 61025987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).