1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C15H19N5O — CID 128942253

IUPAC1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1nccc(CNC(=O)N2CCn3cccc3C2C)n1
InChIInChI=1S/C15H19N5O/c1-11-14-4-3-7-19(14)8-9-20(11)15(21)17-10-13-5-6-16-12(2)18-13/h3-7,11H,8-10H2,1-2H3,(H,17,21)
InChIKeyXFHGEMSEEDTESZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.87
Rot. Bonds2

About 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 128942253) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID128942253
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1nccc(CNC(=O)N2CCn3cccc3C2C)n1
InChIInChI=1S/C15H19N5O/c1-11-14-4-3-7-19(14)8-9-20(11)15(21)17-10-13-5-6-16-12(2)18-13/h3-7,11H,8-10H2,1-2H3,(H,17,21)
InChIKeyXFHGEMSEEDTESZ-UHFFFAOYSA-N
XLogP1.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95189619
1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 136530722
(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124621003
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071555
1-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132762083
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826
(1R)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627266
(1S)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627265
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
ethyl 4-[[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 92711961
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 128942253) is 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1nccc(CNC(=O)N2CCn3cccc3C2C)n1.
What is the InChIKey of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XFHGEMSEEDTESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-14-4-3-7-19(14)8-9-20(11)15(21)17-10-13-5-6-16-12(2)18-13/h3-7,11H,8-10H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 128942253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).