N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine

C15H19N3 — CID 55114017

IUPACN-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(CC)cc2)nc1
InChIInChI=1S/C15H19N3/c1-3-12-5-7-14(8-6-12)15-17-10-13(11-18-15)9-16-4-2/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeySLQQIHABYPZABV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.82
Rot. Bonds5

About N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 55114017) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID55114017
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(CC)cc2)nc1
InChIInChI=1S/C15H19N3/c1-3-12-5-7-14(8-6-12)15-17-10-13(11-18-15)9-16-4-2/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeySLQQIHABYPZABV-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
CID 136889396
N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755684
N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 112755658
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672
N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65197584
N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62757497
N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239931
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
CID 132893916
2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine
CID 67858800
N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine
CID 103445312

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine (CID 55114017) is N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-c2ccc(CC)cc2)nc1.
What is the InChIKey of N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is SLQQIHABYPZABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-12-5-7-14(8-6-12)15-17-10-13(11-18-15)9-16-4-2/h5-8,10-11,16H,3-4,9H2,1-2H3.
What are the key properties of N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 55114017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).