N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine

C14H17N3 — CID 46785098

IUPACN-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
SMILESCCc1nccc(CNCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-2-14-16-9-8-13(17-14)11-15-10-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyLUYIOLMNCUXJII-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine

N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine (PubChem CID 46785098) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
PubChem CID46785098
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
SMILESCCc1nccc(CNCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-2-14-16-9-8-13(17-14)11-15-10-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyLUYIOLMNCUXJII-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
N-[[2-(phenylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 65143640
2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
CID 91779694
N-benzylethanamine;tris(yttrium)
CID 158198357
2,4-dibenzylpyrimidine
CID 59375877
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62747011
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
N-[[3-[(benzylamino)methyl]phenyl]methyl]-7-ethylquinolin-4-amine
CID 70920378
N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
CID 60960957
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine (CID 46785098) is N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine is CCc1nccc(CNCc2ccccc2)n1.
What is the InChIKey of N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is LUYIOLMNCUXJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-14-16-9-8-13(17-14)11-15-10-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3.
What are the key properties of N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine?
N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 46785098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).