4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine

C15H14Cl2N2O — CID 107088182

IUPAC4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
SMILESClCc1c(Cl)ncnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H14Cl2N2O/c16-8-13-14(17)18-9-19-15(13)20-12-6-5-10-3-1-2-4-11(10)7-12/h5-7,9H,1-4,8H2
InChIKeyBODBXOPPVRBUQM-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.54
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine

4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine (PubChem CID 107088182) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
PubChem CID107088182
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
SMILESClCc1c(Cl)ncnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H14Cl2N2O/c16-8-13-14(17)18-9-19-15(13)20-12-6-5-10-3-1-2-4-11(10)7-12/h5-7,9H,1-4,8H2
InChIKeyBODBXOPPVRBUQM-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
4-(3-tert-butylphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107087589
3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine
CID 81036269
4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
CID 107087552
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-5-amine
CID 79916312
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
CID 105383825
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
CID 114676337
2-(chloromethyl)-6-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 62240738
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379
3-[6-chloro-5-(chloromethyl)pyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 107089459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine?
The IUPAC name of 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine (CID 107088182) is 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine is ClCc1c(Cl)ncnc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine?
The InChIKey is BODBXOPPVRBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-8-13-14(17)18-9-19-15(13)20-12-6-5-10-3-1-2-4-11(10)7-12/h5-7,9H,1-4,8H2.
What are the key properties of 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine?
4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine has a molecular weight of 309.20 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine is sourced from PubChem (CID 107088182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).