4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine

C13H20N6O — CID 79738576

IUPAC4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCCn1ccnc1Cc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C13H20N6O/c1-4-6-19-7-5-15-11(19)8-10-16-12(14)18-13(17-10)20-9(2)3/h5,7,9H,4,6,8H2,1-3H3,(H2,14,16,17,18)
InChIKeyGQRDSANIJINEFV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.44
Rot. Bonds6

About 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine

4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 79738576) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID79738576
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCCn1ccnc1Cc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C13H20N6O/c1-4-6-19-7-5-15-11(19)8-10-16-12(14)18-13(17-10)20-9(2)3/h5,7,9H,4,6,8H2,1-3H3,(H2,14,16,17,18)
InChIKeyGQRDSANIJINEFV-UHFFFAOYSA-N
XLogP1.44
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 79734742
N-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 79738564
4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79733828
5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738670
2-ethyl-5-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80976153
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
3-methyl-5-[(1-propylimidazol-2-yl)methyl]pyridin-2-amine
CID 83170955
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80952651
2-(3-bromobutyl)-1-propylimidazole
CID 64508695

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine (CID 79738576) is 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine is CCCn1ccnc1Cc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is GQRDSANIJINEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-6-19-7-5-15-11(19)8-10-16-12(14)18-13(17-10)20-9(2)3/h5,7,9H,4,6,8H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine?
4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 79738576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).