2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine

C13H22N4O — CID 112638716

IUPAC2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine
SMILESCCCOc1ccnc(N2CCNCC2(C)C)n1
InChIInChI=1S/C13H22N4O/c1-4-9-18-11-5-6-15-12(16-11)17-8-7-14-10-13(17,2)3/h5-6,14H,4,7-10H2,1-3H3
InChIKeyKQEQATKNAIIVEM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.45
Rot. Bonds4

About 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine

2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine (PubChem CID 112638716) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine
PubChem CID112638716
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine
SMILESCCCOc1ccnc(N2CCNCC2(C)C)n1
InChIInChI=1S/C13H22N4O/c1-4-9-18-11-5-6-15-12(16-11)17-8-7-14-10-13(17,2)3/h5-6,14H,4,7-10H2,1-3H3
InChIKeyKQEQATKNAIIVEM-UHFFFAOYSA-N
XLogP1.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propoxypyrimidin-2-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115975360
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine
CID 115975387
2-(2,2-dimethylpiperazin-1-yl)quinazoline
CID 114789478
4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 22328862
N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 106321862
2,2-dimethyl-1-(4-nitro-3-propoxyphenyl)piperazine
CID 65462007
4-methyl-5-(4-propoxypyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112638761
2,2-dimethyl-1-pyridin-2-ylpiperazine
CID 55248494
2-(4-bromo-3-methylpiperidin-1-yl)-4-propoxypyrimidine
CID 114682716
1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 66332389
2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638848

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine (CID 112638716) is 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine is CCCOc1ccnc(N2CCNCC2(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine?
The InChIKey is KQEQATKNAIIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-9-18-11-5-6-15-12(16-11)17-8-7-14-10-13(17,2)3/h5-6,14H,4,7-10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine?
2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine has a molecular weight of 250.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine is sourced from PubChem (CID 112638716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).