5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

C14H15N5O3 — CID 110854947

IUPAC5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H15N5O3/c20-12-10(9-16-14(22)17-12)13(21)19-7-5-18(6-8-19)11-3-1-2-4-15-11/h1-4,9H,5-8H2,(H2,16,17,20,22)
InChIKeyOMAKNPCYAVKYQG-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.58
Rot. Bonds2

About 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 110854947) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID110854947
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H15N5O3/c20-12-10(9-16-14(22)17-12)13(21)19-7-5-18(6-8-19)11-3-1-2-4-15-11/h1-4,9H,5-8H2,(H2,16,17,20,22)
InChIKeyOMAKNPCYAVKYQG-UHFFFAOYSA-N
XLogP-0.58
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 51054862
5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121058350
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 90517045
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
CID 126893294
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 110854947) is 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OMAKNPCYAVKYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-12-10(9-16-14(22)17-12)13(21)19-7-5-18(6-8-19)11-3-1-2-4-15-11/h1-4,9H,5-8H2,(H2,16,17,20,22).
What are the key properties of 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 301.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110854947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).