(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

C15H17N5O2 — CID 121162110

IUPAC(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(Oc3ccncn3)CC2)cn1
InChIInChI=1S/C15H17N5O2/c1-11-8-18-13(9-17-11)15(21)20-6-3-12(4-7-20)22-14-2-5-16-10-19-14/h2,5,8-10,12H,3-4,6-7H2,1H3
InChIKeyRCNJRTSSDQTRAP-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.26
Rot. Bonds3

About (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121162110) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121162110
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(Oc3ccncn3)CC2)cn1
InChIInChI=1S/C15H17N5O2/c1-11-8-18-13(9-17-11)15(21)20-6-3-12(4-7-20)22-14-2-5-16-10-19-14/h2,5,8-10,12H,3-4,6-7H2,1H3
InChIKeyRCNJRTSSDQTRAP-UHFFFAOYSA-N
XLogP1.26
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162062
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161763
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121162110) is (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is Cc1cnc(C(=O)N2CCC(Oc3ccncn3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is RCNJRTSSDQTRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11-8-18-13(9-17-11)15(21)20-6-3-12(4-7-20)22-14-2-5-16-10-19-14/h2,5,8-10,12H,3-4,6-7H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 299.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121162110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).