6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

C13H19ClN2O2 — CID 106455830

IUPAC6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H19ClN2O2/c1-9(2)8-18-6-5-16-12(17)7-11(14)15-13(16)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyMOTYHGCKKDEJRM-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.45
Rot. Bonds6

About 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (PubChem CID 106455830) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
PubChem CID106455830
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H19ClN2O2/c1-9(2)8-18-6-5-16-12(17)7-11(14)15-13(16)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyMOTYHGCKKDEJRM-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (CID 106455830) is 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is CC(C)COCCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The InChIKey is MOTYHGCKKDEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)8-18-6-5-16-12(17)7-11(14)15-13(16)10-3-4-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one has a molecular weight of 270.76 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 106455830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).