N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine

C16H21N3O2 — CID 105118919

IUPACN-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cccc(OC)c1OC
InChIInChI=1S/C16H21N3O2/c1-4-8-19-15(12-9-17-11-18-10-12)13-6-5-7-14(20-2)16(13)21-3/h5-7,9-11,15,19H,4,8H2,1-3H3
InChIKeyYLUCPHUUQPZVSM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 105118919) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID105118919
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cccc(OC)c1OC
InChIInChI=1S/C16H21N3O2/c1-4-8-19-15(12-9-17-11-18-10-12)13-6-5-7-14(20-2)16(13)21-3/h5-7,9-11,15,19H,4,8H2,1-3H3
InChIKeyYLUCPHUUQPZVSM-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62491898
N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923325
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923904

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 105118919) is N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is YLUCPHUUQPZVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-8-19-15(12-9-17-11-18-10-12)13-6-5-7-14(20-2)16(13)21-3/h5-7,9-11,15,19H,4,8H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 105118919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).