N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine

C18H25N3O — CID 118723003

IUPACN,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
SMILESCCN(CC)CCCOc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3O/c1-4-21(5-2)12-9-13-22-17-14-15(3)19-18(20-17)16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3
InChIKeyGGJDNJRTVBXIJN-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.56
Rot. Bonds8

About N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine

N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine (PubChem CID 118723003) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
PubChem CID118723003
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
SMILESCCN(CC)CCCOc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3O/c1-4-21(5-2)12-9-13-22-17-14-15(3)19-18(20-17)16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3
InChIKeyGGJDNJRTVBXIJN-UHFFFAOYSA-N
XLogP3.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.56
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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Related Compounds

CID 6433114
CID 6433114
CID 9800750
CID 9800750
CID 118723364
CID 118723364
CID 3076002
CID 3076002
CID 118723352
CID 118723352
CID 2730251
CID 2730251
CID 3152233
CID 3152233
CID 659561
CID 659561
CID 21760780
CID 21760780
CID 59312310
CID 59312310
CID 85988183
CID 85988183
CID 101910737
CID 101910737

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
The IUPAC name of N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine (CID 118723003) is N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
The canonical SMILES for N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine is CCN(CC)CCCOc1cc(C)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
The InChIKey is GGJDNJRTVBXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-21(5-2)12-9-13-22-17-14-15(3)19-18(20-17)16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 118723003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).