5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C18H21N3OS — CID 23631985

IUPAC5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCCc3ccc(OC(C)C)cc3)c12
InChIInChI=1S/C18H21N3OS/c1-12(2)22-15-6-4-14(5-7-15)8-9-19-17-16-13(3)10-23-18(16)21-11-20-17/h4-7,10-12H,8-9H2,1-3H3,(H,19,20,21)
InChIKeyIUKIDEOKQFXUCX-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.44
Rot. Bonds6

About 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 23631985) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID23631985
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCCc3ccc(OC(C)C)cc3)c12
InChIInChI=1S/C18H21N3OS/c1-12(2)22-15-6-4-14(5-7-15)8-9-19-17-16-13(3)10-23-18(16)21-11-20-17/h4-7,10-12H,8-9H2,1-3H3,(H,19,20,21)
InChIKeyIUKIDEOKQFXUCX-UHFFFAOYSA-N
XLogP4.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 23631985) is 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NCCc3ccc(OC(C)C)cc3)c12.
What is the InChIKey of 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IUKIDEOKQFXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12(2)22-15-6-4-14(5-7-15)8-9-19-17-16-13(3)10-23-18(16)21-11-20-17/h4-7,10-12H,8-9H2,1-3H3,(H,19,20,21).
What are the key properties of 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23631985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).