(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C17H24N6O3 — CID 126442437

IUPAC(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)n1
InChIInChI=1S/C17H24N6O3/c1-11-8-12(2)20-14(19-11)4-5-18-17(26)22-6-7-23-13(9-22)16(25)21(3)10-15(23)24/h8,13H,4-7,9-10H2,1-3H3,(H,18,26)/t13-/m1/s1
InChIKeyQYXZUGZESSWTID-CYBMUJFWSA-N
MW360.42 g/mol
LogP-0.67
Rot. Bonds3

About (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 126442437) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID126442437
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)n1
InChIInChI=1S/C17H24N6O3/c1-11-8-12(2)20-14(19-11)4-5-18-17(26)22-6-7-23-13(9-22)16(25)21(3)10-15(23)24/h8,13H,4-7,9-10H2,1-3H3,(H,18,26)/t13-/m1/s1
InChIKeyQYXZUGZESSWTID-CYBMUJFWSA-N
XLogP-0.67
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-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 (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 126442437) is (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is Cc1cc(C)nc(CCNC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)n1.
What is the InChIKey of (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is QYXZUGZESSWTID-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-8-12(2)20-14(19-11)4-5-18-17(26)22-6-7-23-13(9-22)16(25)21(3)10-15(23)24/h8,13H,4-7,9-10H2,1-3H3,(H,18,26)/t13-/m1/s1.
What are the key properties of (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 126442437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).