6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine

C11H16N6 — CID 56711259

IUPAC6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(CN)cc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C11H16N6/c1-8-16-10(5-12)4-11(17-8)14-3-2-9-6-13-7-15-9/h4,6-7H,2-3,5,12H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyISXFOOORKNOOJF-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.62
Rot. Bonds5

About 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine

6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 56711259) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID56711259
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(CN)cc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C11H16N6/c1-8-16-10(5-12)4-11(17-8)14-3-2-9-6-13-7-15-9/h4,6-7H,2-3,5,12H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyISXFOOORKNOOJF-UHFFFAOYSA-N
XLogP0.62
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326106
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
1-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 65231042
6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91786557
6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
CID 56714809
6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195023
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79175854
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-2-carbonitrile
CID 65232033
N-[2-(1H-imidazol-5-yl)ethyl]pyridazin-3-amine
CID 65231842
N-[2-(1H-imidazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65232549
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine (CID 56711259) is 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine is Cc1nc(CN)cc(NCCc2cnc[nH]2)n1.
What is the InChIKey of 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is ISXFOOORKNOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-16-10(5-12)4-11(17-8)14-3-2-9-6-13-7-15-9/h4,6-7H,2-3,5,12H2,1H3,(H,13,15)(H,14,16,17).
What are the key properties of 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine?
6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 56711259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).