4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C18H24N4O — CID 135644715

IUPAC4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(Cc2c(C)nc(N3CCN(C)CC3)[nH]c2=O)cc1
InChIInChI=1S/C18H24N4O/c1-13-4-6-15(7-5-13)12-16-14(2)19-18(20-17(16)23)22-10-8-21(3)9-11-22/h4-7H,8-12H2,1-3H3,(H,19,20,23)
InChIKeyOWQAFIOTEWFYQN-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.73
Rot. Bonds3

About 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135644715) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135644715
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(Cc2c(C)nc(N3CCN(C)CC3)[nH]c2=O)cc1
InChIInChI=1S/C18H24N4O/c1-13-4-6-15(7-5-13)12-16-14(2)19-18(20-17(16)23)22-10-8-21(3)9-11-22/h4-7H,8-12H2,1-3H3,(H,19,20,23)
InChIKeyOWQAFIOTEWFYQN-UHFFFAOYSA-N
XLogP1.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135644715) is 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1ccc(Cc2c(C)nc(N3CCN(C)CC3)[nH]c2=O)cc1.
What is the InChIKey of 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is OWQAFIOTEWFYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-4-6-15(7-5-13)12-16-14(2)19-18(20-17(16)23)22-10-8-21(3)9-11-22/h4-7H,8-12H2,1-3H3,(H,19,20,23).
What are the key properties of 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 312.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).