2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine

C15H15ClN4 — CID 87119735

IUPAC2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine
SMILESCCc1ncnc(Cl)c1C#Cc1ccc(CCN)nc1
InChIInChI=1S/C15H15ClN4/c1-2-14-13(15(16)20-10-19-14)6-4-11-3-5-12(7-8-17)18-9-11/h3,5,9-10H,2,7-8,17H2,1H3
InChIKeyCMXSQELLXKFMPU-UHFFFAOYSA-N
MW286.77 g/mol
LogP1.99
Rot. Bonds3

About 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine

2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine (PubChem CID 87119735) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine
PubChem CID87119735
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine
SMILESCCc1ncnc(Cl)c1C#Cc1ccc(CCN)nc1
InChIInChI=1S/C15H15ClN4/c1-2-14-13(15(16)20-10-19-14)6-4-11-3-5-12(7-8-17)18-9-11/h3,5,9-10H,2,7-8,17H2,1H3
InChIKeyCMXSQELLXKFMPU-UHFFFAOYSA-N
XLogP1.99
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073023
N-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 88919509
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine
CID 130329601
1-[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]propan-1-one
CID 58072702
5-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-N,N-diethylbenzamide
CID 58072904
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazine-1-carboxylic acid
CID 141304463
4,5-dichloro-6-ethylpyrimidine
CID 11137668
4-[2-ethyl-3-[2-(6-ethyl-3-pyridinyl)ethynyl]-4-pyridinyl]-2-fluorobenzoic acid
CID 58235325
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-6-fluorophenyl]-(4-ethylpiperazin-1-yl)methanol
CID 123411803
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-hydroxy-N-methylbenzamide
CID 58073024
4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine
CID 79739170

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine?
The IUPAC name of 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine (CID 87119735) is 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine is CCc1ncnc(Cl)c1C#Cc1ccc(CCN)nc1.
What is the InChIKey of 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine?
The InChIKey is CMXSQELLXKFMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-2-14-13(15(16)20-10-19-14)6-4-11-3-5-12(7-8-17)18-9-11/h3,5,9-10H,2,7-8,17H2,1H3.
What are the key properties of 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine?
2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine has a molecular weight of 286.77 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 87119735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).