2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

C18H21N3OS — CID 166119800

IUPAC2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCCCc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C18H21N3OS/c1-13-11-15-17(20-16(12-22-2)21-18(15)23-13)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,20,21)
InChIKeyYYRBBUYGNYPZJA-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.19
Rot. Bonds7

About 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 166119800) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID166119800
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCCCc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C18H21N3OS/c1-13-11-15-17(20-16(12-22-2)21-18(15)23-13)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,20,21)
InChIKeyYYRBBUYGNYPZJA-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 166119800) is 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is COCc1nc(NCCCc2ccccc2)c2cc(C)sc2n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YYRBBUYGNYPZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13-11-15-17(20-16(12-22-2)21-18(15)23-13)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166119800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).