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

C15H19N3 — CID 55163177

IUPACN-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
SMILESCCCNC(Cc1ncccn1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-2-9-16-14(13-7-4-3-5-8-13)12-15-17-10-6-11-18-15/h3-8,10-11,14,16H,2,9,12H2,1H3
InChIKeyZKEHGBABQXVYHK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.76
Rot. Bonds6

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

N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine (PubChem CID 55163177) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
PubChem CID55163177
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
SMILESCCCNC(Cc1ncccn1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-2-9-16-14(13-7-4-3-5-8-13)12-15-17-10-6-11-18-15/h3-8,10-11,14,16H,2,9,12H2,1H3
InChIKeyZKEHGBABQXVYHK-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-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
CID 60817853
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199442
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine?
The IUPAC name of N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine (CID 55163177) is N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine?
The canonical SMILES for N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine is CCCNC(Cc1ncccn1)c1ccccc1.
What is the InChIKey of N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine?
The InChIKey is ZKEHGBABQXVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-9-16-14(13-7-4-3-5-8-13)12-15-17-10-6-11-18-15/h3-8,10-11,14,16H,2,9,12H2,1H3.
What are the key properties of N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine?
N-(1-phenyl-2-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-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 55163177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).