4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine

C11H16Cl2N2O — CID 63612503

IUPAC4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine
SMILESCCCOCc1nc(Cl)c(C(C)C)c(Cl)n1
InChIInChI=1S/C11H16Cl2N2O/c1-4-5-16-6-8-14-10(12)9(7(2)3)11(13)15-8/h7H,4-6H2,1-3H3
InChIKeyMNSOTCGRDYYKOR-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.83
Rot. Bonds5

About 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine

4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine (PubChem CID 63612503) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine
PubChem CID63612503
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine
SMILESCCCOCc1nc(Cl)c(C(C)C)c(Cl)n1
InChIInChI=1S/C11H16Cl2N2O/c1-4-5-16-6-8-14-10(12)9(7(2)3)11(13)15-8/h7H,4-6H2,1-3H3
InChIKeyMNSOTCGRDYYKOR-UHFFFAOYSA-N
XLogP3.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine (CID 63612503) is 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine is CCCOCc1nc(Cl)c(C(C)C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine?
The InChIKey is MNSOTCGRDYYKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-4-5-16-6-8-14-10(12)9(7(2)3)11(13)15-8/h7H,4-6H2,1-3H3.
What are the key properties of 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine?
4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine has a molecular weight of 263.17 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine is sourced from PubChem (CID 63612503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).