N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine

C15H19N3O — CID 62747200

IUPACN-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-3-9-16-11-13-8-10-17-15(18-13)12-4-6-14(19-2)7-5-12/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyXVEGBUDXHMHHDL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 62747200) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID62747200
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-3-9-16-11-13-8-10-17-15(18-13)12-4-6-14(19-2)7-5-12/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyXVEGBUDXHMHHDL-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103399695
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine
CID 46785106
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 65197789
N-[[2-(3-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 66424301
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 79198540
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine (CID 62747200) is N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1ccnc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is XVEGBUDXHMHHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-16-11-13-8-10-17-15(18-13)12-4-6-14(19-2)7-5-12/h4-8,10,16H,3,9,11H2,1-2H3.
What are the key properties of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62747200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).