2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine

C18H21N3OS — CID 10853678

IUPAC2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccccc2OC)c2sccc2n1
InChIInChI=1S/C18H21N3OS/c1-3-4-9-16-20-14-10-11-23-17(14)18(21-16)19-12-13-7-5-6-8-15(13)22-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21)
InChIKeyNECWLHXAXSTIDW-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.65
Rot. Bonds7

About 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine

2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10853678) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID10853678
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccccc2OC)c2sccc2n1
InChIInChI=1S/C18H21N3OS/c1-3-4-9-16-20-14-10-11-23-17(14)18(21-16)19-12-13-7-5-6-8-15(13)22-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21)
InChIKeyNECWLHXAXSTIDW-UHFFFAOYSA-N
XLogP4.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 10853678) is 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is CCCCc1nc(NCc2ccccc2OC)c2sccc2n1.
What is the InChIKey of 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NECWLHXAXSTIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-4-9-16-20-14-10-11-23-17(14)18(21-16)19-12-13-7-5-6-8-15(13)22-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 327.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10853678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).