N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine

C15H20N4 — CID 55109911

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine
SMILESCN(C)Cc1ccccc1CNCc1ccncn1
InChIInChI=1S/C15H20N4/c1-19(2)11-14-6-4-3-5-13(14)9-17-10-15-7-8-16-12-18-15/h3-8,12,17H,9-11H2,1-2H3
InChIKeyCBQFDFOUSHCECA-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.83
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine (PubChem CID 55109911) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine
PubChem CID55109911
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine
SMILESCN(C)Cc1ccccc1CNCc1ccncn1
InChIInChI=1S/C15H20N4/c1-19(2)11-14-6-4-3-5-13(14)9-17-10-15-7-8-16-12-18-15/h3-8,12,17H,9-11H2,1-2H3
InChIKeyCBQFDFOUSHCECA-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine
CID 64680497
2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 79763577
1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760396
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 62743984
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663267
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60669298
1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748853
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761553
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine
CID 62748739
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 114111090

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine (CID 55109911) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine is CN(C)Cc1ccccc1CNCc1ccncn1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine?
The InChIKey is CBQFDFOUSHCECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19(2)11-14-6-4-3-5-13(14)9-17-10-15-7-8-16-12-18-15/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine has a molecular weight of 256.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 55109911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).