N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine

C13H16N4 — CID 62491202

IUPACN-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cncnc1
InChIInChI=1S/C13H16N4/c1-2-5-17-13(11-3-6-14-7-4-11)12-8-15-10-16-9-12/h3-4,6-10,13,17H,2,5H2,1H3
InChIKeyOICXFENCEBAJSX-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.96
Rot. Bonds5

About N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine

N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 62491202) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
PubChem CID62491202
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cncnc1
InChIInChI=1S/C13H16N4/c1-2-5-17-13(11-3-6-14-7-4-11)12-8-15-10-16-9-12/h3-4,6-10,13,17H,2,5H2,1H3
InChIKeyOICXFENCEBAJSX-UHFFFAOYSA-N
XLogP1.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923416
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(3-chloro-4-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63087158
N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497092
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 43496227

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine (CID 62491202) is N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine is CCCNC(c1ccncc1)c1cncnc1.
What is the InChIKey of N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is OICXFENCEBAJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-5-17-13(11-3-6-14-7-4-11)12-8-15-10-16-9-12/h3-4,6-10,13,17H,2,5H2,1H3.
What are the key properties of N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine?
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62491202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).