2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C22H22N4OS — CID 59278029

IUPAC2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3cc(Cc4cccnc4OC(C)C)sc3n2)c1
InChIInChI=1S/C22H22N4OS/c1-13(2)27-21-16(8-5-9-24-21)11-17-12-18-19(23)25-20(26-22(18)28-17)15-7-4-6-14(3)10-15/h4-10,12-13H,11H2,1-3H3,(H2,23,25,26)
InChIKeyRJXXVJDKZIDLCR-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.02
Rot. Bonds5

About 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59278029) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID59278029
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3cc(Cc4cccnc4OC(C)C)sc3n2)c1
InChIInChI=1S/C22H22N4OS/c1-13(2)27-21-16(8-5-9-24-21)11-17-12-18-19(23)25-20(26-22(18)28-17)15-7-4-6-14(3)10-15/h4-10,12-13H,11H2,1-3H3,(H2,23,25,26)
InChIKeyRJXXVJDKZIDLCR-UHFFFAOYSA-N
XLogP5.02
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59278033
[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59276729
ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976488
6-benzyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 45274225
6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 158360562
2-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025887
6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275186
6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 45274329
ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976514
N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615787
6-ethyl-2-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614813

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 59278029) is 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4OC(C)C)sc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RJXXVJDKZIDLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-13(2)27-21-16(8-5-9-24-21)11-17-12-18-19(23)25-20(26-22(18)28-17)15-7-4-6-14(3)10-15/h4-10,12-13H,11H2,1-3H3,(H2,23,25,26).
What are the key properties of 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 390.51 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59278029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).