5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide

C16H19N5O2 — CID 124956730

IUPAC5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cn1
InChIInChI=1S/C16H19N5O2/c1-11-6-18-13(10-17-11)16(22)21-9-12-7-19-15(20-8-12)14-4-2-3-5-23-14/h6-8,10,14H,2-5,9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyFTUFZWOXPRWKEA-AWEZNQCLSA-N
MW313.36 g/mol
LogP1.75
Rot. Bonds4

About 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide (PubChem CID 124956730) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
PubChem CID124956730
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cn1
InChIInChI=1S/C16H19N5O2/c1-11-6-18-13(10-17-11)16(22)21-9-12-7-19-15(20-8-12)14-4-2-3-5-23-14/h6-8,10,14H,2-5,9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyFTUFZWOXPRWKEA-AWEZNQCLSA-N
XLogP1.75
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 110117756
N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124998741
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide
CID 125024972
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide (CID 124956730) is 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cn1.
What is the InChIKey of 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is FTUFZWOXPRWKEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-6-18-13(10-17-11)16(22)21-9-12-7-19-15(20-8-12)14-4-2-3-5-23-14/h6-8,10,14H,2-5,9H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide?
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 124956730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).