N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine

C14H25N5 — CID 116976042

IUPACN-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(NCCC2CN(C)CCN2)nc1
InChIInChI=1S/C14H25N5/c1-3-4-12-9-17-14(18-10-12)16-6-5-13-11-19(2)8-7-15-13/h9-10,13,15H,3-8,11H2,1-2H3,(H,16,17,18)
InChIKeyWEDONDIIYUYQFV-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.13
Rot. Bonds6

About N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine

N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine (PubChem CID 116976042) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine
PubChem CID116976042
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(NCCC2CN(C)CCN2)nc1
InChIInChI=1S/C14H25N5/c1-3-4-12-9-17-14(18-10-12)16-6-5-13-11-19(2)8-7-15-13/h9-10,13,15H,3-8,11H2,1-2H3,(H,16,17,18)
InChIKeyWEDONDIIYUYQFV-UHFFFAOYSA-N
XLogP1.13
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine
CID 117044496
N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine
CID 116976024
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
5-bromo-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239342
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-4-amine
CID 115239353
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine (CID 116976042) is N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine is CCCc1cnc(NCCC2CN(C)CCN2)nc1.
What is the InChIKey of N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine?
The InChIKey is WEDONDIIYUYQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-4-12-9-17-14(18-10-12)16-6-5-13-11-19(2)8-7-15-13/h9-10,13,15H,3-8,11H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine?
N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine is sourced from PubChem (CID 116976042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).