N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline

C17H24N4 — CID 60960957

IUPACN,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNCc2ccnc(C)n2)cc1
InChIInChI=1S/C17H24N4/c1-4-21(5-2)17-8-6-15(7-9-17)12-18-13-16-10-11-19-14(3)20-16/h6-11,18H,4-5,12-13H2,1-3H3
InChIKeyRFGNHJWCTJQDFG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.92
Rot. Bonds7

About N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline

N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline (PubChem CID 60960957) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
PubChem CID60960957
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNCc2ccnc(C)n2)cc1
InChIInChI=1S/C17H24N4/c1-4-21(5-2)17-8-6-15(7-9-17)12-18-13-16-10-11-19-14(3)20-16/h6-11,18H,4-5,12-13H2,1-3H3
InChIKeyRFGNHJWCTJQDFG-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzonitrile
CID 47272282
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 106816664
N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline
CID 78894850
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 62344748
N,N-diethyl-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]aniline
CID 54885355
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline (CID 60960957) is N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline is CCN(CC)c1ccc(CNCc2ccnc(C)n2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline?
The InChIKey is RFGNHJWCTJQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-21(5-2)17-8-6-15(7-9-17)12-18-13-16-10-11-19-14(3)20-16/h6-11,18H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline?
N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline has a molecular weight of 284.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline is sourced from PubChem (CID 60960957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).