5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one

C11H18N2O — CID 136692836

IUPAC5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C(C)C)c(C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-5-6-9-12-10(7(2)3)8(4)11(14)13-9/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyYUDWGEOMGKQZIC-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.15
Rot. Bonds3

About 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one

5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one (PubChem CID 136692836) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
PubChem CID136692836
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C(C)C)c(C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-5-6-9-12-10(7(2)3)8(4)11(14)13-9/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyYUDWGEOMGKQZIC-UHFFFAOYSA-N
XLogP2.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one (CID 136692836) is 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(C(C)C)c(C)c(=O)[nH]1.
What is the InChIKey of 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is YUDWGEOMGKQZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-6-9-12-10(7(2)3)8(4)11(14)13-9/h7H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one?
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 194.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).