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

C19H25N5O — CID 133347371

IUPAC5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2c(C)c(C)nc3ncnn23)c(OC(C)(C)C)c1
InChIInChI=1S/C19H25N5O/c1-12-7-8-15(16(9-12)25-19(4,5)6)10-20-17-13(2)14(3)23-18-21-11-22-24(17)18/h7-9,11,20H,10H2,1-6H3
InChIKeyOUACGEWKGNAINE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.84
Rot. Bonds4

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

5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133347371) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133347371
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2c(C)c(C)nc3ncnn23)c(OC(C)(C)C)c1
InChIInChI=1S/C19H25N5O/c1-12-7-8-15(16(9-12)25-19(4,5)6)10-20-17-13(2)14(3)23-18-21-11-22-24(17)18/h7-9,11,20H,10H2,1-6H3
InChIKeyOUACGEWKGNAINE-UHFFFAOYSA-N
XLogP3.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]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-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 84584512
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133411376
5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 70199948
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453332
5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429581
5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076653
6-benzyl-N-[(2-ethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094526
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076603
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
CID 133347394
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076767

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133347371) is 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(CNc2c(C)c(C)nc3ncnn23)c(OC(C)(C)C)c1.
What is the InChIKey of 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OUACGEWKGNAINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-7-8-15(16(9-12)25-19(4,5)6)10-20-17-13(2)14(3)23-18-21-11-22-24(17)18/h7-9,11,20H,10H2,1-6H3.
What are the key properties of 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133347371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).