N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

C16H21N3O — CID 62601372

IUPACN-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)c1ncccn1
InChIInChI=1S/C16H21N3O/c1-3-8-17-15(16-18-9-5-10-19-16)12-13-6-4-7-14(11-13)20-2/h4-7,9-11,15,17H,3,8,12H2,1-2H3
InChIKeyMRRQIKBIMZPFIH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.77
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (PubChem CID 62601372) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
PubChem CID62601372
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)c1ncccn1
InChIInChI=1S/C16H21N3O/c1-3-8-17-15(16-18-9-5-10-19-16)12-13-6-4-7-14(11-13)20-2/h4-7,9-11,15,17H,3,8,12H2,1-2H3
InChIKeyMRRQIKBIMZPFIH-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
CID 60817853
N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 61065038
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 106687830
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
CID 62600114
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (CID 62601372) is N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1)c1ncccn1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The InChIKey is MRRQIKBIMZPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-17-15(16-18-9-5-10-19-16)12-13-6-4-7-14(11-13)20-2/h4-7,9-11,15,17H,3,8,12H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 62601372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).