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

C20H20N6O3 — CID 84973154

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide
SMILESC#CCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C20H20N6O3/c1-4-8-29-16-12-22-15(11-23-16)18(28)24-14-7-5-6-13(9-14)20(2)10-17(27)26(3)19(21)25-20/h1,5-7,9,11-12H,8,10H2,2-3H3,(H2,21,25)(H,24,28)
InChIKeyBZORNRLJYSMPOP-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.13
Rot. Bonds5

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

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide (PubChem CID 84973154) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide
PubChem CID84973154
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide
SMILESC#CCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C20H20N6O3/c1-4-8-29-16-12-22-15(11-23-16)18(28)24-14-7-5-6-13(9-14)20(2)10-17(27)26(3)19(21)25-20/h1,5-7,9,11-12H,8,10H2,2-3H3,(H2,21,25)(H,24,28)
InChIKeyBZORNRLJYSMPOP-UHFFFAOYSA-N
XLogP1.13
TPSA122.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-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 N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide (CID 84973154) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide is C#CCOc1cnc(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-prop-2-ynoxypyrazine-2-carboxamide?
The InChIKey is BZORNRLJYSMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-4-8-29-16-12-22-15(11-23-16)18(28)24-14-7-5-6-13(9-14)20(2)10-17(27)26(3)19(21)25-20/h1,5-7,9,11-12H,8,10H2,2-3H3,(H2,21,25)(H,24,28).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-prop-2-ynoxypyrazine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.13, 5 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-prop-2-ynoxypyrazine-2-carboxamide is sourced from PubChem (CID 84973154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).