4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine

C14H22ClN3O — CID 114221426

IUPAC4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(N2CCC(OC)CC2C)n1
InChIInChI=1S/C14H22ClN3O/c1-4-5-13-16-12(15)9-14(17-13)18-7-6-11(19-3)8-10(18)2/h9-11H,4-8H2,1-3H3
InChIKeyFIHGEWAUUYMHIJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.09
Rot. Bonds4

About 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine

4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine (PubChem CID 114221426) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine
PubChem CID114221426
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(N2CCC(OC)CC2C)n1
InChIInChI=1S/C14H22ClN3O/c1-4-5-13-16-12(15)9-14(17-13)18-7-6-11(19-3)8-10(18)2/h9-11H,4-8H2,1-3H3
InChIKeyFIHGEWAUUYMHIJ-UHFFFAOYSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine (CID 114221426) is 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine is CCCc1nc(Cl)cc(N2CCC(OC)CC2C)n1.
What is the InChIKey of 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine?
The InChIKey is FIHGEWAUUYMHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-5-13-16-12(15)9-14(17-13)18-7-6-11(19-3)8-10(18)2/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine?
4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine has a molecular weight of 283.80 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine is sourced from PubChem (CID 114221426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).