2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one

C19H26N4O2 — CID 135491346

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O
InChIInChI=1S/C19H26N4O2/c1-4-6-17-14(2)20-19(21-18(17)24)23-11-9-22(10-12-23)15-7-5-8-16(13-15)25-3/h5,7-8,13H,4,6,9-12H2,1-3H3,(H,20,21,24)
InChIKeyCNOZUQVFWLTYKN-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one

2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135491346) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135491346
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O
InChIInChI=1S/C19H26N4O2/c1-4-6-17-14(2)20-19(21-18(17)24)23-11-9-22(10-12-23)15-7-5-8-16(13-15)25-3/h5,7-8,13H,4,6,9-12H2,1-3H3,(H,20,21,24)
InChIKeyCNOZUQVFWLTYKN-UHFFFAOYSA-N
XLogP2.37
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
5-ethyl-2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
CID 135491367
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
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155522687
2-[4-(3-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155549220
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135445398
2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135445400

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one (CID 135491346) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is CNOZUQVFWLTYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-6-17-14(2)20-19(21-18(17)24)23-11-9-22(10-12-23)15-7-5-8-16(13-15)25-3/h5,7-8,13H,4,6,9-12H2,1-3H3,(H,20,21,24).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 342.44 g/mol, XLogP of 2.37, 5 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-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).