4-cyclopropyl-2-propyl-1H-pyrimidin-6-one

C10H14N2O — CID 135975519

IUPAC4-cyclopropyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O/c1-2-3-9-11-8(7-4-5-7)6-10(13)12-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeySLYMXLAYTWQXAG-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.60
Rot. Bonds3

About 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one

4-cyclopropyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 135975519) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-propyl-1H-pyrimidin-6-one
PubChem CID135975519
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-cyclopropyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O/c1-2-3-9-11-8(7-4-5-7)6-10(13)12-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeySLYMXLAYTWQXAG-UHFFFAOYSA-N
XLogP1.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one (CID 135975519) is 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is SLYMXLAYTWQXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-9-11-8(7-4-5-7)6-10(13)12-9/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one?
4-cyclopropyl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 178.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135975519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).