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

C19H24N4O2 — CID 135602360

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O
InChIInChI=1S/C19H24N4O2/c1-4-5-17-14(2)20-19(21-18(17)24)23-12-10-22(11-13-23)15-6-8-16(25-3)9-7-15/h4,6-9H,1,5,10-13H2,2-3H3,(H,20,21,24)
InChIKeyLSCCUSAQDBXVBZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.14
Rot. Bonds5

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 135602360) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID135602360
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O
InChIInChI=1S/C19H24N4O2/c1-4-5-17-14(2)20-19(21-18(17)24)23-12-10-22(11-13-23)15-6-8-16(25-3)9-7-15/h4,6-9H,1,5,10-13H2,2-3H3,(H,20,21,24)
InChIKeyLSCCUSAQDBXVBZ-UHFFFAOYSA-N
XLogP2.14
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911493
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135624606
2-(4-benzhydrylpiperazin-1-yl)-4-(methoxymethyl)-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135893912
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135532108
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645254
5-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135762505
5-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135644716
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136890092
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
CID 112882740
5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135417579
4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644715
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (CID 135602360) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is LSCCUSAQDBXVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-5-17-14(2)20-19(21-18(17)24)23-12-10-22(11-13-23)15-6-8-16(25-3)9-7-15/h4,6-9H,1,5,10-13H2,2-3H3,(H,20,21,24).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 340.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135602360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).