5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide

C21H23N5O5 — CID 54766195

IUPAC5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide
SMILESCOC[C@H](C)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C21H23N5O5/c1-13(12-29-4)30-15-7-14(20-22-6-5-18(27)25-20)8-16(9-15)31-19-11-23-17(10-24-19)21(28)26(2)3/h5-11,13H,12H2,1-4H3,(H,22,25,27)/t13-/m0/s1
InChIKeyUQFUOGIWCIAKAA-ZDUSSCGKSA-N
MW425.45 g/mol
LogP2.13
Rot. Bonds8

About 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide

5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 54766195) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID54766195
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide
SMILESCOC[C@H](C)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C21H23N5O5/c1-13(12-29-4)30-15-7-14(20-22-6-5-18(27)25-20)8-16(9-15)31-19-11-23-17(10-24-19)21(28)26(2)3/h5-11,13H,12H2,1-4H3,(H,22,25,27)/t13-/m0/s1
InChIKeyUQFUOGIWCIAKAA-ZDUSSCGKSA-N
XLogP2.13
TPSA119.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide (CID 54766195) is 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide is COC[C@H](C)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(-c2nccc(=O)[nH]2)c1.
What is the InChIKey of 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is UQFUOGIWCIAKAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-13(12-29-4)30-15-7-14(20-22-6-5-18(27)25-20)8-16(9-15)31-19-11-23-17(10-24-19)21(28)26(2)3/h5-11,13H,12H2,1-4H3,(H,22,25,27)/t13-/m0/s1.
What are the key properties of 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide?
5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(6-oxo-1H-pyrimidin-2-yl)phenoxy]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 54766195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).