4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine

C10H14Cl2N2O2 — CID 22943311

IUPAC4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine
SMILESCOC(C)(Cc1c(Cl)nc(C)nc1Cl)OC
InChIInChI=1S/C10H14Cl2N2O2/c1-6-13-8(11)7(9(12)14-6)5-10(2,15-3)16-4/h5H2,1-4H3
InChIKeyPKCFWBIUNDLDRQ-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.64
Rot. Bonds4

About 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine

4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine (PubChem CID 22943311) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine
PubChem CID22943311
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine
SMILESCOC(C)(Cc1c(Cl)nc(C)nc1Cl)OC
InChIInChI=1S/C10H14Cl2N2O2/c1-6-13-8(11)7(9(12)14-6)5-10(2,15-3)16-4/h5H2,1-4H3
InChIKeyPKCFWBIUNDLDRQ-UHFFFAOYSA-N
XLogP2.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,6-Dichloro-2-methyl-5-propylpyrimidine
CID 63611489
4,6-Dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-propylpyrimidine
CID 103146700
4,6-Dichloro-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 113780671
Methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
CID 19071353
4,6-Dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine
CID 22943310
3-(4,6-Dichloro-2-methylpyrimidin-5-yl)propan-1-ol
CID 87753398
Methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)pent-4-enoate
CID 87770267
4,6-Dichloro-5-(2-ethoxypropyl)pyrimidine
CID 88580536
5-Butyl-4,6-dichloro-2-methylpyrimidine
CID 88924675
5-Butyl-4,6-dichloro-2-methoxypyrimidine
CID 88924762
4,6-Dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine
CID 163365426
4,6-Dichloro-5-(1,3-dioxolan-2-ylmethyl)-2-methylpyrimidine
CID 175274964

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine (CID 22943311) is 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine is COC(C)(Cc1c(Cl)nc(C)nc1Cl)OC.
What is the InChIKey of 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine?
The InChIKey is PKCFWBIUNDLDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-6-13-8(11)7(9(12)14-6)5-10(2,15-3)16-4/h5H2,1-4H3.
What are the key properties of 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine?
4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine has a molecular weight of 265.14 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine is sourced from PubChem (CID 22943311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).