2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine

C24H28N4O3 — CID 11502665

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC)n2)cc1
InChIInChI=1S/C24H28N4O3/c1-29-21-9-3-18(4-10-21)11-12-25-23-17-22(26-24(27-23)30-2)19-5-7-20(8-6-19)28-13-15-31-16-14-28/h3-10,17H,11-16H2,1-2H3,(H,25,26,27)
InChIKeyBZXYLLKICRAQTA-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.65
Rot. Bonds8

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 11502665) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID11502665
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC)n2)cc1
InChIInChI=1S/C24H28N4O3/c1-29-21-9-3-18(4-10-21)11-12-25-23-17-22(26-24(27-23)30-2)19-5-7-20(8-6-19)28-13-15-31-16-14-28/h3-10,17H,11-16H2,1-2H3,(H,25,26,27)
InChIKeyBZXYLLKICRAQTA-UHFFFAOYSA-N
XLogP3.65
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 11502665) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is BZXYLLKICRAQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-29-21-9-3-18(4-10-21)11-12-25-23-17-22(26-24(27-23)30-2)19-5-7-20(8-6-19)28-13-15-31-16-14-28/h3-10,17H,11-16H2,1-2H3,(H,25,26,27).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 420.51 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 11502665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).