2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine

C21H23N3O2 — CID 53321836

IUPAC2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCCCc3ccccc3)nc(OC)n2)c1
InChIInChI=1S/C21H23N3O2/c1-25-18-12-6-11-17(14-18)19-15-20(24-21(23-19)26-2)22-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,22,23,24)
InChIKeyQLWRBRAPKLHSNJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.21
Rot. Bonds8

About 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine

2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine (PubChem CID 53321836) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine
PubChem CID53321836
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCCCc3ccccc3)nc(OC)n2)c1
InChIInChI=1S/C21H23N3O2/c1-25-18-12-6-11-17(14-18)19-15-20(24-21(23-19)26-2)22-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,22,23,24)
InChIKeyQLWRBRAPKLHSNJ-UHFFFAOYSA-N
XLogP4.21
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.21
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-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine (CID 53321836) is 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine is COc1cccc(-c2cc(NCCCc3ccccc3)nc(OC)n2)c1.
What is the InChIKey of 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine?
The InChIKey is QLWRBRAPKLHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-18-12-6-11-17(14-18)19-15-20(24-21(23-19)26-2)22-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,22,23,24).
What are the key properties of 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine?
2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3-methoxyphenyl)-N-(3-phenylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 53321836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).