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

C11H15N5O — CID 66326106

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCCc2cnc[nH]2)nc(C)n1
InChIInChI=1S/C11H15N5O/c1-8-15-10(5-11(16-8)17-2)13-4-3-9-6-12-7-14-9/h5-7H,3-4H2,1-2H3,(H,12,14)(H,13,15,16)
InChIKeyXOTXHTXEKDCGHJ-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.17
Rot. Bonds5

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

N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66326106) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66326106
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCCc2cnc[nH]2)nc(C)n1
InChIInChI=1S/C11H15N5O/c1-8-15-10(5-11(16-8)17-2)13-4-3-9-6-12-7-14-9/h5-7H,3-4H2,1-2H3,(H,12,14)(H,13,15,16)
InChIKeyXOTXHTXEKDCGHJ-UHFFFAOYSA-N
XLogP1.17
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
CID 56711259
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 66327115
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106431054
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
6-methoxy-2-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66325472
6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91786557
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66326106) is N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCCc2cnc[nH]2)nc(C)n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is XOTXHTXEKDCGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-15-10(5-11(16-8)17-2)13-4-3-9-6-12-7-14-9/h5-7H,3-4H2,1-2H3,(H,12,14)(H,13,15,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 233.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66326106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).