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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Related Compounds

3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 80945238
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
CID 80936019
4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
CID 80939007
4-methyl-6-[(3R)-3-methylpiperidin-1-yl]-2-propylpyrimidine
CID 40640900
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80833597
4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine
CID 114221426
4-(6-chloro-2-propylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80946128
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015

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).