N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide

C21H24N6O3 — CID 70233615

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide
SMILESCOC/C=C\c1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C21H24N6O3/c1-21(11-18(28)27(2)20(22)26-21)14-6-4-7-15(10-14)25-19(29)17-13-23-16(12-24-17)8-5-9-30-3/h4-8,10,12-13H,9,11H2,1-3H3,(H2,22,26)(H,25,29)/b8-5-
InChIKeyYOKGASAFOVHMSH-YVMONPNESA-N
MW408.46 g/mol
LogP1.78
Rot. Bonds6

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide (PubChem CID 70233615) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide
PubChem CID70233615
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide
SMILESCOC/C=C\c1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C21H24N6O3/c1-21(11-18(28)27(2)20(22)26-21)14-6-4-7-15(10-14)25-19(29)17-13-23-16(12-24-17)8-5-9-30-3/h4-8,10,12-13H,9,11H2,1-3H3,(H2,22,26)(H,25,29)/b8-5-
InChIKeyYOKGASAFOVHMSH-YVMONPNESA-N
XLogP1.78
TPSA122.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 91116624
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
CID 157354109
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazine-2-carboxamide
CID 70234156
N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
CID 66644173
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide
CID 45381259
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 70233635
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]acetamide
CID 143213303
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 70234798
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-1-methylthiophene-1-carboxamide
CID 66646924
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-chloro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 59570577
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-hydroxypyridine-2-carboxamide
CID 70233565

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide (CID 70233615) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide is COC/C=C\c1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide?
The InChIKey is YOKGASAFOVHMSH-YVMONPNESA-N. The full InChI is InChI=1S/C21H24N6O3/c1-21(11-18(28)27(2)20(22)26-21)14-6-4-7-15(10-14)25-19(29)17-13-23-16(12-24-17)8-5-9-30-3/h4-8,10,12-13H,9,11H2,1-3H3,(H2,22,26)(H,25,29)/b8-5-.
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70233615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).