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

C10H16N2O — CID 136692838

IUPAC4-propan-2-yl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-4-5-8-9(7(2)3)11-6-12-10(8)13/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyRXSXOHMDGIXZQS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds3

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

4-propan-2-yl-5-propyl-1H-pyrimidin-6-one (PubChem CID 136692838) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-5-propyl-1H-pyrimidin-6-one
PubChem CID136692838
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-propan-2-yl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-4-5-8-9(7(2)3)11-6-12-10(8)13/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyRXSXOHMDGIXZQS-UHFFFAOYSA-N
XLogP1.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one (CID 136692838) is 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C(C)C)nc[nH]c1=O.
What is the InChIKey of 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is RXSXOHMDGIXZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-8-9(7(2)3)11-6-12-10(8)13/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one?
4-propan-2-yl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).