N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine

C16H21N3O2 — CID 62490002

IUPACN-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)c(OC)cc1-c1cncnc1
InChIInChI=1S/C16H21N3O2/c1-4-5-17-8-12-6-15(20-2)16(21-3)7-14(12)13-9-18-11-19-10-13/h6-7,9-11,17H,4-5,8H2,1-3H3
InChIKeyUVWDWHYRCMRSEH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.66
Rot. Bonds7

About N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine

N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine (PubChem CID 62490002) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine
PubChem CID62490002
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)c(OC)cc1-c1cncnc1
InChIInChI=1S/C16H21N3O2/c1-4-5-17-8-12-6-15(20-2)16(21-3)7-14(12)13-9-18-11-19-10-13/h6-7,9-11,17H,4-5,8H2,1-3H3
InChIKeyUVWDWHYRCMRSEH-UHFFFAOYSA-N
XLogP2.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 61033659
N-[[2-(4-bromothiophen-3-yl)-4,5-dimethoxyphenyl]methyl]propan-1-amine
CID 79590634
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830
N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine
CID 116810952
2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
CID 119111857
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127608
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
CID 61033866
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
CID 61032532

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine (CID 62490002) is N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine is CCCNCc1cc(OC)c(OC)cc1-c1cncnc1.
What is the InChIKey of N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine?
The InChIKey is UVWDWHYRCMRSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-5-17-8-12-6-15(20-2)16(21-3)7-14(12)13-9-18-11-19-10-13/h6-7,9-11,17H,4-5,8H2,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine?
N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62490002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).