4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine

C14H20Cl2N2 — CID 63611823

IUPAC4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C2CCCC(C)C2)nc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-3-5-11-12(15)17-14(18-13(11)16)10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeySLCLWOKJCSXRER-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.03
Rot. Bonds3

About 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine

4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine (PubChem CID 63611823) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
PubChem CID63611823
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C2CCCC(C)C2)nc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-3-5-11-12(15)17-14(18-13(11)16)10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeySLCLWOKJCSXRER-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine (CID 63611823) is 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine is CCCc1c(Cl)nc(C2CCCC(C)C2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine?
The InChIKey is SLCLWOKJCSXRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-3-5-11-12(15)17-14(18-13(11)16)10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine?
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine has a molecular weight of 287.23 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine is sourced from PubChem (CID 63611823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).