4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C15H26N4O — CID 135644909

IUPAC4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C15H26N4O/c1-11(2)5-6-13-12(3)16-15(17-14(13)20)19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,17,20)
InChIKeyZAGFWHSCVBWIIQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.42
Rot. Bonds4

About 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135644909) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135644909
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C15H26N4O/c1-11(2)5-6-13-12(3)16-15(17-14(13)20)19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,17,20)
InChIKeyZAGFWHSCVBWIIQ-UHFFFAOYSA-N
XLogP1.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135644909) is 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCN(C)CC2)[nH]c(=O)c1CCC(C)C.
What is the InChIKey of 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is ZAGFWHSCVBWIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)5-6-13-12(3)16-15(17-14(13)20)19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,17,20).
What are the key properties of 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).