6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

C15H28N5O2P — CID 143996926

IUPAC6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCCOP(CCN1CCN(c2cc(N)nc(C)n2)CC1)OCC
InChIInChI=1S/C15H28N5O2P/c1-4-21-23(22-5-2)11-10-19-6-8-20(9-7-19)15-12-14(16)17-13(3)18-15/h12H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeySABYLYMNRYAFPS-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.87
Rot. Bonds8

About 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (PubChem CID 143996926) has the molecular formula C15H28N5O2P and a molecular weight of 341.40 g/mol. Its IUPAC name is 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
PubChem CID143996926
Molecular FormulaC15H28N5O2P
Molecular Weight341.40 g/mol
Exact Mass341.20
IUPAC Name6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCCOP(CCN1CCN(c2cc(N)nc(C)n2)CC1)OCC
InChIInChI=1S/C15H28N5O2P/c1-4-21-23(22-5-2)11-10-19-6-8-20(9-7-19)15-12-14(16)17-13(3)18-15/h12H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeySABYLYMNRYAFPS-UHFFFAOYSA-N
XLogP1.87
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66333920
2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80945393
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 121440416
2-methyl-6-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)pyrimidin-4-amine
CID 72853467
ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 144625270
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
3-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 54939146
6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 78929729
6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine
CID 80855443
2-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798590
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (CID 143996926) is 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is CCOP(CCN1CCN(c2cc(N)nc(C)n2)CC1)OCC.
What is the InChIKey of 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The InChIKey is SABYLYMNRYAFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N5O2P/c1-4-21-23(22-5-2)11-10-19-6-8-20(9-7-19)15-12-14(16)17-13(3)18-15/h12H,4-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine has a molecular weight of 341.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-diethoxyphosphanylethyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 143996926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).