5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C18H23N5O3 — CID 146043505

IUPAC5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)cn1
InChIInChI=1S/C18H23N5O3/c1-12-15(18(25)21-13(2)20-12)10-17(24)23-8-6-22(7-9-23)14-4-5-16(26-3)19-11-14/h4-5,11H,6-10H2,1-3H3,(H,20,21,25)
InChIKeySRIYXBUBJQRSAT-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.68
Rot. Bonds4

About 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 146043505) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID146043505
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)cn1
InChIInChI=1S/C18H23N5O3/c1-12-15(18(25)21-13(2)20-12)10-17(24)23-8-6-22(7-9-23)14-4-5-16(26-3)19-11-14/h4-5,11H,6-10H2,1-3H3,(H,20,21,25)
InChIKeySRIYXBUBJQRSAT-UHFFFAOYSA-N
XLogP0.68
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136911228
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one
CID 136616634
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 136662146
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136890092
2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 135933975
2,4-dimethyl-5-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 135881334
1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione
CID 89000502
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 146042466
2,4-dimethyl-5-[2-oxo-2-(2-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)ethyl]-1H-pyrimidin-6-one
CID 163312730
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136616357
2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136670243

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 146043505) is 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is COc1ccc(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)cn1.
What is the InChIKey of 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is SRIYXBUBJQRSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-15(18(25)21-13(2)20-12)10-17(24)23-8-6-22(7-9-23)14-4-5-16(26-3)19-11-14/h4-5,11H,6-10H2,1-3H3,(H,20,21,25).
What are the key properties of 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 357.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 146043505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).