4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine

C12H16N6O2 — CID 80872070

IUPAC4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC2CCOCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H16N6O2/c1-13-10-15-11(18-5-4-14-8-18)17-12(16-10)20-9-2-6-19-7-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,15,16,17)
InChIKeyCDPFSGJRODJNLF-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.66
Rot. Bonds4

About 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine

4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine (PubChem CID 80872070) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
PubChem CID80872070
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC2CCOCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H16N6O2/c1-13-10-15-11(18-5-4-14-8-18)17-12(16-10)20-9-2-6-19-7-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,15,16,17)
InChIKeyCDPFSGJRODJNLF-UHFFFAOYSA-N
XLogP0.66
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80865599
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
4-cyclobutyloxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872862
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62863362
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82751261
6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80791148
4-(4,4-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 114342951
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
4-imidazol-1-yl-N-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80831744

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine (CID 80872070) is 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine is CNc1nc(OC2CCOCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is CDPFSGJRODJNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-13-10-15-11(18-5-4-14-8-18)17-12(16-10)20-9-2-6-19-7-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,15,16,17).
What are the key properties of 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).