2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine

C23H22N4O3 — CID 53324534

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4cnco4)c3)nc(OC)n2)cc1
InChIInChI=1S/C23H22N4O3/c1-28-19-8-6-16(7-9-19)10-11-25-22-13-20(26-23(27-22)29-2)17-4-3-5-18(12-17)21-14-24-15-30-21/h3-9,12-15H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyBPCFBUPFVULQSB-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.47
Rot. Bonds8

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 53324534) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID53324534
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4cnco4)c3)nc(OC)n2)cc1
InChIInChI=1S/C23H22N4O3/c1-28-19-8-6-16(7-9-19)10-11-25-22-13-20(26-23(27-22)29-2)17-4-3-5-18(12-17)21-14-24-15-30-21/h3-9,12-15H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyBPCFBUPFVULQSB-UHFFFAOYSA-N
XLogP4.47
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine (CID 53324534) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cccc(-c4cnco4)c3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is BPCFBUPFVULQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-28-19-8-6-16(7-9-19)10-11-25-22-13-20(26-23(27-22)29-2)17-4-3-5-18(12-17)21-14-24-15-30-21/h3-9,12-15H,10-11H2,1-2H3,(H,25,26,27).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 402.45 g/mol, XLogP of 4.47, 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-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 53324534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).