5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one

C14H18N6O2 — CID 171993393

IUPAC5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccnc(N2CCN(c3cnn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C14H18N6O2/c1-18-13(21)9-11(10-16-18)19-5-7-20(8-6-19)14-15-4-3-12(17-14)22-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRKVKPYFTQVMWPF-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.09
Rot. Bonds3

About 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 171993393) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID171993393
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccnc(N2CCN(c3cnn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C14H18N6O2/c1-18-13(21)9-11(10-16-18)19-5-7-20(8-6-19)14-15-4-3-12(17-14)22-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRKVKPYFTQVMWPF-UHFFFAOYSA-N
XLogP-0.09
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 71977837
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
2-methyl-5-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 171993106
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56798159
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154575576
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 171993393) is 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one is COc1ccnc(N2CCN(c3cnn(C)c(=O)c3)CC2)n1.
What is the InChIKey of 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is RKVKPYFTQVMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-18-13(21)9-11(10-16-18)19-5-7-20(8-6-19)14-15-4-3-12(17-14)22-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 302.34 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 171993393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).