N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

C24H28N6O — CID 10764399

IUPACN-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCOCC(Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C
InChIInChI=1S/C24H28N6O/c1-15-11-16(2)22(17(3)12-15)30-24-21(28-29-30)23(25-18(4)26-24)27-20(14-31-5)13-19-9-7-6-8-10-19/h6-12,20H,13-14H2,1-5H3,(H,25,26,27)
InChIKeyPVSGGRGRZXFBNS-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.11
Rot. Bonds7

About N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10764399) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID10764399
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCOCC(Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C
InChIInChI=1S/C24H28N6O/c1-15-11-16(2)22(17(3)12-15)30-24-21(28-29-30)23(25-18(4)26-24)27-20(14-31-5)13-19-9-7-6-8-10-19/h6-12,20H,13-14H2,1-5H3,(H,25,26,27)
InChIKeyPVSGGRGRZXFBNS-UHFFFAOYSA-N
XLogP4.11
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 10764399) is N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is COCC(Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C.
What is the InChIKey of N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is PVSGGRGRZXFBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-15-11-16(2)22(17(3)12-15)30-24-21(28-29-30)23(25-18(4)26-24)27-20(14-31-5)13-19-9-7-6-8-10-19/h6-12,20H,13-14H2,1-5H3,(H,25,26,27).
What are the key properties of N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 416.53 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-phenylpropan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10764399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).