N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine

C15H19N3 — CID 60817853

IUPACN-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1ncccn1
InChIInChI=1S/C15H19N3/c1-2-9-16-14(15-17-10-6-11-18-15)12-13-7-4-3-5-8-13/h3-8,10-11,14,16H,2,9,12H2,1H3
InChIKeyYTNKLEJVJKLWPA-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.76
Rot. Bonds6

About N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine

N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine (PubChem CID 60817853) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
PubChem CID60817853
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1ncccn1
InChIInChI=1S/C15H19N3/c1-2-9-16-14(15-17-10-6-11-18-15)12-13-7-4-3-5-8-13/h3-8,10-11,14,16H,2,9,12H2,1H3
InChIKeyYTNKLEJVJKLWPA-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-methyl-2-phenyl-1-pyrimidin-2-ylethanamine
CID 60820448
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
N-(2-phenyl-1-quinolin-2-ylethyl)propan-1-amine
CID 63222770
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine
CID 114200836

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine?
The IUPAC name of N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine (CID 60817853) is N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine is CCCNC(Cc1ccccc1)c1ncccn1.
What is the InChIKey of N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine?
The InChIKey is YTNKLEJVJKLWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-9-16-14(15-17-10-6-11-18-15)12-13-7-4-3-5-8-13/h3-8,10-11,14,16H,2,9,12H2,1H3.
What are the key properties of N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine?
N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 60817853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).