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

C17H18N6O3 — CID 91116624

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN1C(=O)CC(C)(c2cccc(NC(=O)c3c[nH]c(=O)cn3)c2)N=C1N
InChIInChI=1S/C17H18N6O3/c1-17(7-14(25)23(2)16(18)22-17)10-4-3-5-11(6-10)21-15(26)12-8-20-13(24)9-19-12/h3-6,8-9H,7H2,1-2H3,(H2,18,22)(H,20,24)(H,21,26)
InChIKeyVHRPVJDPKABPGJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.41
Rot. Bonds3

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

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 91116624) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID91116624
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN1C(=O)CC(C)(c2cccc(NC(=O)c3c[nH]c(=O)cn3)c2)N=C1N
InChIInChI=1S/C17H18N6O3/c1-17(7-14(25)23(2)16(18)22-17)10-4-3-5-11(6-10)21-15(26)12-8-20-13(24)9-19-12/h3-6,8-9H,7H2,1-2H3,(H2,18,22)(H,20,24)(H,21,26)
InChIKeyVHRPVJDPKABPGJ-UHFFFAOYSA-N
XLogP0.41
TPSA133.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
CID 157354109
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]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazine-2-carboxamide
CID 70234156
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
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-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide
CID 45381259
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]acetamide
CID 143213303
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-[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-[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]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 91116624) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide is CN1C(=O)CC(C)(c2cccc(NC(=O)c3c[nH]c(=O)cn3)c2)N=C1N.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is VHRPVJDPKABPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-17(7-14(25)23(2)16(18)22-17)10-4-3-5-11(6-10)21-15(26)12-8-20-13(24)9-19-12/h3-6,8-9H,7H2,1-2H3,(H2,18,22)(H,20,24)(H,21,26).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91116624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).