2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine

C19H21N3O2S — CID 53324508

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(C)s3)nc(OC)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-4-9-17(25-13)16-12-18(22-19(21-16)24-3)20-11-10-14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyHAWMPRDKLCDHIP-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.19
Rot. Bonds7

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 53324508) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID53324508
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(C)s3)nc(OC)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-4-9-17(25-13)16-12-18(22-19(21-16)24-3)20-11-10-14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyHAWMPRDKLCDHIP-UHFFFAOYSA-N
XLogP4.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 53324508) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3ccc(C)s3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is HAWMPRDKLCDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-4-9-17(25-13)16-12-18(22-19(21-16)24-3)20-11-10-14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 355.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 53324508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).