N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H27N5O2 — CID 42618178

IUPACN-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC[C@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C20H27N5O2/c1-8-12(3)21-20-23-14(5)22-19-18(13(4)24-25(19)20)17-11(2)9-15(26-6)10-16(17)27-7/h9-10,12H,8H2,1-7H3,(H,21,22,23)/t12-/m0/s1
InChIKeyOGTPHDYRZSEDNM-LBPRGKRZSA-N
MW369.47 g/mol
LogP3.94
Rot. Bonds6

About N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618178) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618178
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC[C@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C20H27N5O2/c1-8-12(3)21-20-23-14(5)22-19-18(13(4)24-25(19)20)17-11(2)9-15(26-6)10-16(17)27-7/h9-10,12H,8H2,1-7H3,(H,21,22,23)/t12-/m0/s1
InChIKeyOGTPHDYRZSEDNM-LBPRGKRZSA-N
XLogP3.94
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618178) is N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC[C@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is OGTPHDYRZSEDNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-8-12(3)21-20-23-14(5)22-19-18(13(4)24-25(19)20)17-11(2)9-15(26-6)10-16(17)27-7/h9-10,12H,8H2,1-7H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).