5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one

C13H22N2O — CID 137286790

IUPAC5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1c(CC(C)C)nc(CC(C)C)[nH]c1=O
InChIInChI=1S/C13H22N2O/c1-8(2)6-11-10(5)13(16)15-12(14-11)7-9(3)4/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyPCEDZGSSMGNPAH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds4

About 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one

5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 137286790) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID137286790
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1c(CC(C)C)nc(CC(C)C)[nH]c1=O
InChIInChI=1S/C13H22N2O/c1-8(2)6-11-10(5)13(16)15-12(14-11)7-9(3)4/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyPCEDZGSSMGNPAH-UHFFFAOYSA-N
XLogP2.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one (CID 137286790) is 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one is Cc1c(CC(C)C)nc(CC(C)C)[nH]c1=O.
What is the InChIKey of 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is PCEDZGSSMGNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(2)6-11-10(5)13(16)15-12(14-11)7-9(3)4/h8-9H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one?
5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 222.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137286790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).