2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C16H20N4O2 — CID 135445398

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(N2CCN(c3nc(C)cc(=O)[nH]3)CC2)c1
InChIInChI=1S/C16H20N4O2/c1-12-10-15(21)18-16(17-12)20-8-6-19(7-9-20)13-4-3-5-14(11-13)22-2/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeySQWXKRONHNSLAG-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.41
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135445398) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135445398
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(N2CCN(c3nc(C)cc(=O)[nH]3)CC2)c1
InChIInChI=1S/C16H20N4O2/c1-12-10-15(21)18-16(17-12)20-8-6-19(7-9-20)13-4-3-5-14(11-13)22-2/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeySQWXKRONHNSLAG-UHFFFAOYSA-N
XLogP1.41
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-Methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-ol
CID 135652704
2-[4-(3-Methoxyphenyl)piperazinyl]-3,5,6,7,8-pentahydroquinazolin-4-one
CID 135644892
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135491346
5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135491350
(5E)-1-(3-methoxyphenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 1877351
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 3986132
N-(3-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6467692
5-ethyl-2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
CID 135491367
N-(3-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
CID 895660
N-(4-fluoro-3-methoxyphenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 66882257
2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417609
N-(3-methoxyphenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136230229

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135445398) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is COc1cccc(N2CCN(c3nc(C)cc(=O)[nH]3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SQWXKRONHNSLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-10-15(21)18-16(17-12)20-8-6-19(7-9-20)13-4-3-5-14(11-13)22-2/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 300.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135445398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).