2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H24N8O3 — CID 85471633

IUPAC2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12
InChIInChI=1S/C18H24N8O3/c1-11(2)29-18-12(9-20-10-21-18)22-17(27)14-15(19)24-26-6-5-13(23-16(14)26)28-8-7-25(3)4/h5-6,9-11H,7-8H2,1-4H3,(H2,19,24)(H,22,27)
InChIKeyVCSXZMOHUBBTCW-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.08
Rot. Bonds8

About 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471633) has the molecular formula C18H24N8O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471633
Molecular FormulaC18H24N8O3
Molecular Weight400.44 g/mol
Exact Mass400.20
IUPAC Name2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12
InChIInChI=1S/C18H24N8O3/c1-11(2)29-18-12(9-20-10-21-18)22-17(27)14-15(19)24-26-6-5-13(23-16(14)26)28-8-7-25(3)4/h5-6,9-11H,7-8H2,1-4H3,(H2,19,24)(H,22,27)
InChIKeyVCSXZMOHUBBTCW-UHFFFAOYSA-N
XLogP1.08
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471633) is 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12.
What is the InChIKey of 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VCSXZMOHUBBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O3/c1-11(2)29-18-12(9-20-10-21-18)22-17(27)14-15(19)24-26-6-5-13(23-16(14)26)28-8-7-25(3)4/h5-6,9-11H,7-8H2,1-4H3,(H2,19,24)(H,22,27).
What are the key properties of 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).