[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone

C15H17N5O — CID 110114980

IUPAC[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1nccc(C2CCCN(C(=O)c3ccncn3)C2)n1
InChIInChI=1S/C15H17N5O/c1-11-17-7-5-13(19-11)12-3-2-8-20(9-12)15(21)14-4-6-16-10-18-14/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyIKPQUVIWYOCESO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.59
Rot. Bonds2

About [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone

[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 110114980) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID110114980
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1nccc(C2CCCN(C(=O)c3ccncn3)C2)n1
InChIInChI=1S/C15H17N5O/c1-11-17-7-5-13(19-11)12-3-2-8-20(9-12)15(21)14-4-6-16-10-18-14/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyIKPQUVIWYOCESO-UHFFFAOYSA-N
XLogP1.59
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 124963907
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 124967355
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 124966908
(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 125006022
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone (CID 110114980) is [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone is Cc1nccc(C2CCCN(C(=O)c3ccncn3)C2)n1.
What is the InChIKey of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is IKPQUVIWYOCESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-17-7-5-13(19-11)12-3-2-8-20(9-12)15(21)14-4-6-16-10-18-14/h4-7,10,12H,2-3,8-9H2,1H3.
What are the key properties of [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110114980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).