[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone

C14H15N5O2 — CID 95845102

IUPAC[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1
InChIInChI=1S/C14H15N5O2/c1-10-16-3-2-11(18-10)13-9-19(6-7-21-13)14(20)12-8-15-4-5-17-12/h2-5,8,13H,6-7,9H2,1H3/t13-/m0/s1
InChIKeyLBBGSVPNELFOPV-ZDUSSCGKSA-N
MW285.31 g/mol
LogP0.79
Rot. Bonds2

About [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone (PubChem CID 95845102) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
PubChem CID95845102
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1
InChIInChI=1S/C14H15N5O2/c1-10-16-3-2-11(18-10)13-9-19(6-7-21-13)14(20)12-8-15-4-5-17-12/h2-5,8,13H,6-7,9H2,1H3/t13-/m0/s1
InChIKeyLBBGSVPNELFOPV-ZDUSSCGKSA-N
XLogP0.79
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95847596
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 110271985
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022866
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022865
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124988619
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone (CID 95845102) is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone is Cc1nccc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1.
What is the InChIKey of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is LBBGSVPNELFOPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-10-16-3-2-11(18-10)13-9-19(6-7-21-13)14(20)12-8-15-4-5-17-12/h2-5,8,13H,6-7,9H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 285.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95845102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).