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

C16H20N8O3 — CID 85471634

IUPAC2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12
InChIInChI=1S/C16H20N8O3/c1-23(2)6-7-27-11-4-5-24-14(21-11)12(13(17)22-24)15(25)20-10-8-18-9-19-16(10)26-3/h4-5,8-9H,6-7H2,1-3H3,(H2,17,22)(H,20,25)
InChIKeyZEYFIWWBCRHAGP-UHFFFAOYSA-N
MW372.39 g/mol
LogP0.30
Rot. Bonds7

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

2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471634) has the molecular formula C16H20N8O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471634
Molecular FormulaC16H20N8O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12
InChIInChI=1S/C16H20N8O3/c1-23(2)6-7-27-11-4-5-24-14(21-11)12(13(17)22-24)15(25)20-10-8-18-9-19-16(10)26-3/h4-5,8-9H,6-7H2,1-3H3,(H2,17,22)(H,20,25)
InChIKeyZEYFIWWBCRHAGP-UHFFFAOYSA-N
XLogP0.30
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 50.30
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-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471634) is 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12.
What is the InChIKey of 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZEYFIWWBCRHAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O3/c1-23(2)6-7-27-11-4-5-24-14(21-11)12(13(17)22-24)15(25)20-10-8-18-9-19-16(10)26-3/h4-5,8-9H,6-7H2,1-3H3,(H2,17,22)(H,20,25).
What are the key properties of 2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 0.30, 7 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-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).