3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine

C20H29N3O — CID 118723335

IUPAC3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H29N3O/c1-4-12-23(13-5-2)14-9-15-24-19-16-17(3)21-20(22-19)18-10-7-6-8-11-18/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3
InChIKeyCVACPWRGSFXFHS-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.34
Rot. Bonds10

About 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine

3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine (PubChem CID 118723335) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine
PubChem CID118723335
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H29N3O/c1-4-12-23(13-5-2)14-9-15-24-19-16-17(3)21-20(22-19)18-10-7-6-8-11-18/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3
InChIKeyCVACPWRGSFXFHS-UHFFFAOYSA-N
XLogP4.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine (CID 118723335) is 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOc1cc(C)nc(-c2ccccc2)n1.
What is the InChIKey of 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine?
The InChIKey is CVACPWRGSFXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-12-23(13-5-2)14-9-15-24-19-16-17(3)21-20(22-19)18-10-7-6-8-11-18/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3.
What are the key properties of 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine?
3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-phenylpyrimidin-4-yl)oxy-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 118723335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).