2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

C14H18N6O3 — CID 72928595

IUPAC2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c(=O)[nH]1
InChIInChI=1S/C14H18N6O3/c1-9-15-7-11(13(21)16-9)14(22)20-5-3-19(4-6-20)8-12-17-10(2)23-18-12/h7H,3-6,8H2,1-2H3,(H,15,16,21)
InChIKeyOJSHGFOLNKARJN-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.27
Rot. Bonds3

About 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 72928595) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID72928595
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c(=O)[nH]1
InChIInChI=1S/C14H18N6O3/c1-9-15-7-11(13(21)16-9)14(22)20-5-3-19(4-6-20)8-12-17-10(2)23-18-12/h7H,3-6,8H2,1-2H3,(H,15,16,21)
InChIKeyOJSHGFOLNKARJN-UHFFFAOYSA-N
XLogP-0.27
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 72928595) is 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is OJSHGFOLNKARJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-9-15-7-11(13(21)16-9)14(22)20-5-3-19(4-6-20)8-12-17-10(2)23-18-12/h7H,3-6,8H2,1-2H3,(H,15,16,21).
What are the key properties of 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 318.34 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72928595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).