4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C21H24N6O — CID 136858528

IUPAC4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCCc1ncc(CN2CCCC(c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1
InChIInChI=1S/C21H24N6O/c1-2-19-23-11-15(12-24-19)13-27-9-5-6-16(14-27)18-10-20(28)26-21(25-18)17-7-3-4-8-22-17/h3-4,7-8,10-12,16H,2,5-6,9,13-14H2,1H3,(H,25,26,28)
InChIKeyLUHPXIGUFGJWRD-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.56
Rot. Bonds5

About 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one

4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136858528) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136858528
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCCc1ncc(CN2CCCC(c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1
InChIInChI=1S/C21H24N6O/c1-2-19-23-11-15(12-24-19)13-27-9-5-6-16(14-27)18-10-20(28)26-21(25-18)17-7-3-4-8-22-17/h3-4,7-8,10-12,16H,2,5-6,9,13-14H2,1H3,(H,25,26,28)
InChIKeyLUHPXIGUFGJWRD-UHFFFAOYSA-N
XLogP2.56
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 136858528) is 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is CCc1ncc(CN2CCCC(c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1.
What is the InChIKey of 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is LUHPXIGUFGJWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-19-23-11-15(12-24-19)13-27-9-5-6-16(14-27)18-10-20(28)26-21(25-18)17-7-3-4-8-22-17/h3-4,7-8,10-12,16H,2,5-6,9,13-14H2,1H3,(H,25,26,28).
What are the key properties of 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 376.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136858528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).