5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one

C18H23N5O3 — CID 56725993

IUPAC5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(OC)c(C(C)Nc2nc3c(C)nn(C)c3c(=O)n2C)c1
InChIInChI=1S/C18H23N5O3/c1-10(13-9-12(25-5)7-8-14(13)26-6)19-18-20-15-11(2)21-23(4)16(15)17(24)22(18)3/h7-10H,1-6H3,(H,19,20)
InChIKeyWBHHGMHBWKSZEO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.17
Rot. Bonds5

About 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one

5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 56725993) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID56725993
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(OC)c(C(C)Nc2nc3c(C)nn(C)c3c(=O)n2C)c1
InChIInChI=1S/C18H23N5O3/c1-10(13-9-12(25-5)7-8-14(13)26-6)19-18-20-15-11(2)21-23(4)16(15)17(24)22(18)3/h7-10H,1-6H3,(H,19,20)
InChIKeyWBHHGMHBWKSZEO-UHFFFAOYSA-N
XLogP2.17
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one (CID 56725993) is 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one is COc1ccc(OC)c(C(C)Nc2nc3c(C)nn(C)c3c(=O)n2C)c1.
What is the InChIKey of 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WBHHGMHBWKSZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-10(13-9-12(25-5)7-8-14(13)26-6)19-18-20-15-11(2)21-23(4)16(15)17(24)22(18)3/h7-10H,1-6H3,(H,19,20).
What are the key properties of 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 357.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 56725993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).