4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine

C13H21ClN4 — CID 80945946

IUPAC4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(N2CCN(C)C(C)C2)n1
InChIInChI=1S/C13H21ClN4/c1-4-5-12-15-11(14)8-13(16-12)18-7-6-17(3)10(2)9-18/h8,10H,4-7,9H2,1-3H3
InChIKeyQNRVMWBTKKTXPM-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine

4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine (PubChem CID 80945946) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
PubChem CID80945946
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(N2CCN(C)C(C)C2)n1
InChIInChI=1S/C13H21ClN4/c1-4-5-12-15-11(14)8-13(16-12)18-7-6-17(3)10(2)9-18/h8,10H,4-7,9H2,1-3H3
InChIKeyQNRVMWBTKKTXPM-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine (CID 80945946) is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine is CCCc1nc(Cl)cc(N2CCN(C)C(C)C2)n1.
What is the InChIKey of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine?
The InChIKey is QNRVMWBTKKTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-4-5-12-15-11(14)8-13(16-12)18-7-6-17(3)10(2)9-18/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine?
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine has a molecular weight of 268.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine is sourced from PubChem (CID 80945946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).