2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H14FN7O2 — CID 85471632

IUPAC2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ncncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C14H14FN7O2/c1-7(2)24-14-9(4-17-6-19-14)20-13(23)10-11(16)21-22-5-8(15)3-18-12(10)22/h3-7H,1-2H3,(H2,16,21)(H,20,23)
InChIKeyYDARQAJXGGRMNF-UHFFFAOYSA-N
MW331.31 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471632) has the molecular formula C14H14FN7O2 and a molecular weight of 331.31 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471632
Molecular FormulaC14H14FN7O2
Molecular Weight331.31 g/mol
Exact Mass331.12
IUPAC Name2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ncncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C14H14FN7O2/c1-7(2)24-14-9(4-17-6-19-14)20-13(23)10-11(16)21-22-5-8(15)3-18-12(10)22/h3-7H,1-2H3,(H2,16,21)(H,20,23)
InChIKeyYDARQAJXGGRMNF-UHFFFAOYSA-N
XLogP1.28
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471632) is 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1ncncc1NC(=O)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YDARQAJXGGRMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN7O2/c1-7(2)24-14-9(4-17-6-19-14)20-13(23)10-11(16)21-22-5-8(15)3-18-12(10)22/h3-7H,1-2H3,(H2,16,21)(H,20,23).
What are the key properties of 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).