2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine

C9H16Cl2N2O — CID 123665725

IUPAC2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine
SMILESCC(C)OCC1C(Cl)=NC(Cl)NC1C
InChIInChI=1S/C9H16Cl2N2O/c1-5(2)14-4-7-6(3)12-9(11)13-8(7)10/h5-7,9,12H,4H2,1-3H3
InChIKeyXTVVMDGIRCWPMX-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.18
Rot. Bonds3

About 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine

2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine (PubChem CID 123665725) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine
PubChem CID123665725
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine
SMILESCC(C)OCC1C(Cl)=NC(Cl)NC1C
InChIInChI=1S/C9H16Cl2N2O/c1-5(2)14-4-7-6(3)12-9(11)13-8(7)10/h5-7,9,12H,4H2,1-3H3
InChIKeyXTVVMDGIRCWPMX-UHFFFAOYSA-N
XLogP2.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine?
The IUPAC name of 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine (CID 123665725) is 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine?
The canonical SMILES for 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine is CC(C)OCC1C(Cl)=NC(Cl)NC1C.
What is the InChIKey of 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine?
The InChIKey is XTVVMDGIRCWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2N2O/c1-5(2)14-4-7-6(3)12-9(11)13-8(7)10/h5-7,9,12H,4H2,1-3H3.
What are the key properties of 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine?
2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine has a molecular weight of 239.15 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-5-(propan-2-yloxymethyl)-1,2,5,6-tetrahydropyrimidine is sourced from PubChem (CID 123665725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).