5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H23N5O — CID 84584512

IUPAC5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCc2ccccc2COC(C)C)c1C
InChIInChI=1S/C18H23N5O/c1-12(2)24-10-16-8-6-5-7-15(16)9-19-17-13(3)14(4)22-18-20-11-21-23(17)18/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyGFWTXHIKXIEDAU-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.28
Rot. Bonds6

About 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 84584512) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID84584512
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCc2ccccc2COC(C)C)c1C
InChIInChI=1S/C18H23N5O/c1-12(2)24-10-16-8-6-5-7-15(16)9-19-17-13(3)14(4)22-18-20-11-21-23(17)18/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyGFWTXHIKXIEDAU-UHFFFAOYSA-N
XLogP3.28
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 70199948
6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094526
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487692
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139009856
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133411376
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453332
N-(4-methoxyphenyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 28866754
2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323673
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106038078
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491662
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 84584512) is 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NCc2ccccc2COC(C)C)c1C.
What is the InChIKey of 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GFWTXHIKXIEDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(2)24-10-16-8-6-5-7-15(16)9-19-17-13(3)14(4)22-18-20-11-21-23(17)18/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 84584512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).