N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine

C13H16N4 — CID 63767610

IUPACN-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(CN)c2)nc(C)n1
InChIInChI=1S/C13H16N4/c1-9-6-13(16-10(2)15-9)17-12-5-3-4-11(7-12)8-14/h3-7H,8,14H2,1-2H3,(H,15,16,17)
InChIKeyZBQXMYHMLPRPRR-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.30
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine

N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 63767610) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID63767610
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(CN)c2)nc(C)n1
InChIInChI=1S/C13H16N4/c1-9-6-13(16-10(2)15-9)17-12-5-3-4-11(7-12)8-14/h3-7H,8,14H2,1-2H3,(H,15,16,17)
InChIKeyZBQXMYHMLPRPRR-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[3-(aminomethyl)phenyl]-6-methoxy-4-methylpyridin-2-amine;methane
CID 157374019
[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
CID 54604691
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 63760596
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine
CID 163443040
N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
CID 174299502
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine (CID 63767610) is N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(Nc2cccc(CN)c2)nc(C)n1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is ZBQXMYHMLPRPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-6-13(16-10(2)15-9)17-12-5-3-4-11(7-12)8-14/h3-7H,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine?
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63767610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).