N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide

C20H21N5O4 — CID 54767782

IUPACN,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide
SMILESCC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C20H21N5O4/c1-12(2)28-14-7-13(19-21-6-5-17(26)24-19)8-15(9-14)29-18-11-22-16(10-23-18)20(27)25(3)4/h5-12H,1-4H3,(H,21,24,26)
InChIKeyLGQSPYOERTUZSV-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.51
Rot. Bonds6

About N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide

N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide (PubChem CID 54767782) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide
PubChem CID54767782
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide
SMILESCC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C20H21N5O4/c1-12(2)28-14-7-13(19-21-6-5-17(26)24-19)8-15(9-14)29-18-11-22-16(10-23-18)20(27)25(3)4/h5-12H,1-4H3,(H,21,24,26)
InChIKeyLGQSPYOERTUZSV-UHFFFAOYSA-N
XLogP2.51
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide (CID 54767782) is N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide is CC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(-c2nccc(=O)[nH]2)c1.
What is the InChIKey of N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide?
The InChIKey is LGQSPYOERTUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12(2)28-14-7-13(19-21-6-5-17(26)24-19)8-15(9-14)29-18-11-22-16(10-23-18)20(27)25(3)4/h5-12H,1-4H3,(H,21,24,26).
What are the key properties of N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide?
N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 54767782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).