N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine

C17H23N3 — CID 102923416

IUPACN-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(CCC)cc1)c1cncnc1
InChIInChI=1S/C17H23N3/c1-3-5-14-6-8-15(9-7-14)17(20-10-4-2)16-11-18-13-19-12-16/h6-9,11-13,17,20H,3-5,10H2,1-2H3
InChIKeyWOOCYLDUOMZTFN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds7

About N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 102923416) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID102923416
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(CCC)cc1)c1cncnc1
InChIInChI=1S/C17H23N3/c1-3-5-14-6-8-15(9-7-14)17(20-10-4-2)16-11-18-13-19-12-16/h6-9,11-13,17,20H,3-5,10H2,1-2H3
InChIKeyWOOCYLDUOMZTFN-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(3-chloro-4-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63087158
N-[(5-bromothiophen-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144437
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[(3-chlorothiophen-2-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 80644875
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115826842
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434
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-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 102923416) is N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1ccc(CCC)cc1)c1cncnc1.
What is the InChIKey of N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is WOOCYLDUOMZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-5-14-6-8-15(9-7-14)17(20-10-4-2)16-11-18-13-19-12-16/h6-9,11-13,17,20H,3-5,10H2,1-2H3.
What are the key properties of N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 102923416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).