N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine

C17H23N3O — CID 63989184

IUPACN-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)c1ccncn1
InChIInChI=1S/C17H23N3O/c1-4-8-19-16(15-7-9-18-12-20-15)11-14-10-13(2)5-6-17(14)21-3/h5-7,9-10,12,16,19H,4,8,11H2,1-3H3
InChIKeyJIQDHRSPDDUVHY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine

N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine (PubChem CID 63989184) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
PubChem CID63989184
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)c1ccncn1
InChIInChI=1S/C17H23N3O/c1-4-8-19-16(15-7-9-18-12-20-15)11-14-10-13(2)5-6-17(14)21-3/h5-7,9-10,12,16,19H,4,8,11H2,1-3H3
InChIKeyJIQDHRSPDDUVHY-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990215
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
2-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63989159
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63987280
N-[2-(2-methoxy-5-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82887282
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine (CID 63989184) is N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1OC)c1ccncn1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The InChIKey is JIQDHRSPDDUVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-8-19-16(15-7-9-18-12-20-15)11-14-10-13(2)5-6-17(14)21-3/h5-7,9-10,12,16,19H,4,8,11H2,1-3H3.
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 63989184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).