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

C11H14N6O — CID 80865599

IUPAC4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC2CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N6O/c1-12-9-14-10(17-5-4-13-7-17)16-11(15-9)18-6-8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,14,15,16)
InChIKeyKLZIWWBRXWVOEA-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.89
Rot. Bonds5

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

4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80865599) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
PubChem CID80865599
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC2CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N6O/c1-12-9-14-10(17-5-4-13-7-17)16-11(15-9)18-6-8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,14,15,16)
InChIKeyKLZIWWBRXWVOEA-UHFFFAOYSA-N
XLogP0.89
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80872070
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
4-(cyclopropylmethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867582
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-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031
6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80791148
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767496

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (CID 80865599) is 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OCC2CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is KLZIWWBRXWVOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-12-9-14-10(17-5-4-13-7-17)16-11(15-9)18-6-8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,14,15,16).
What are the key properties of 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).