N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine

C16H22N4 — CID 79748221

IUPACN-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)c1ccncn1
InChIInChI=1S/C16H22N4/c1-3-8-18-16(15-7-9-17-12-20-15)10-14-6-5-13(4-2)11-19-14/h5-7,9,11-12,16,18H,3-4,8,10H2,1-2H3
InChIKeyNYLZOHHEOKNFHL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine

N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine (PubChem CID 79748221) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
PubChem CID79748221
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)c1ccncn1
InChIInChI=1S/C16H22N4/c1-3-8-18-16(15-7-9-17-12-20-15)10-14-6-5-13(4-2)11-19-14/h5-7,9,11-12,16,18H,3-4,8,10H2,1-2H3
InChIKeyNYLZOHHEOKNFHL-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63988984
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
N-[2-(5-ethyl-2-pyridinyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105168926
N-[2-(5-ethyl-2-pyridinyl)-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105014658
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
N-[1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 105014714
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990215
N-[2-(5-bromothiophen-2-yl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989185
4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 63988767
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine (CID 79748221) is N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cn1)c1ccncn1.
What is the InChIKey of N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The InChIKey is NYLZOHHEOKNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-8-18-16(15-7-9-17-12-20-15)10-14-6-5-13(4-2)11-19-14/h5-7,9,11-12,16,18H,3-4,8,10H2,1-2H3.
What are the key properties of N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 79748221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).