2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one

C14H24N2O — CID 137256092

IUPAC2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)c1nc(C)[nH]c(=O)c1CC(C)C
InChIInChI=1S/C14H24N2O/c1-6-7-10(4)13-12(8-9(2)3)14(17)16-11(5)15-13/h9-10H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyMBWPCBAUNAPKHO-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.18
Rot. Bonds5

About 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one

2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one (PubChem CID 137256092) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one
PubChem CID137256092
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)c1nc(C)[nH]c(=O)c1CC(C)C
InChIInChI=1S/C14H24N2O/c1-6-7-10(4)13-12(8-9(2)3)14(17)16-11(5)15-13/h9-10H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyMBWPCBAUNAPKHO-UHFFFAOYSA-N
XLogP3.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one (CID 137256092) is 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one is CCCC(C)c1nc(C)[nH]c(=O)c1CC(C)C.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MBWPCBAUNAPKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-7-10(4)13-12(8-9(2)3)14(17)16-11(5)15-13/h9-10H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one?
2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137256092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).