cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid

C17H30N3O2P — CID 176680712

IUPACcyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid
SMILESC1CCC1.C=Cc1nccc(N(C)C2CCC(O)CC2)n1.OP
InChIInChI=1S/C13H19N3O.C4H8.H3OP/c1-3-12-14-9-8-13(15-12)16(2)10-4-6-11(17)7-5-10;1-2-4-3-1;1-2/h3,8-11,17H,1,4-7H2,2H3;1-4H2;1H,2H2
InChIKeyBJCPEZXWIRSNLX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.19
Rot. Bonds3

About cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid

cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid (PubChem CID 176680712) has the molecular formula C17H30N3O2P and a molecular weight of 339.42 g/mol. Its IUPAC name is cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid.

Molecular Properties

Compound Namecyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid
PubChem CID176680712
Molecular FormulaC17H30N3O2P
Molecular Weight339.42 g/mol
Exact Mass339.21
IUPAC Namecyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid
SMILESC1CCC1.C=Cc1nccc(N(C)C2CCC(O)CC2)n1.OP
InChIInChI=1S/C13H19N3O.C4H8.H3OP/c1-3-12-14-9-8-13(15-12)16(2)10-4-6-11(17)7-5-10;1-2-4-3-1;1-2/h3,8-11,17H,1,4-7H2,2H3;1-4H2;1H,2H2
InChIKeyBJCPEZXWIRSNLX-UHFFFAOYSA-N
XLogP3.19
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexyl]oxyphosphinous acid
CID 176680740
2-ethenyl-N,N-dimethylpyrimidin-4-amine
CID 176680804
2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine
CID 176680717
4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
CID 70499830
4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol
CID 117044799
2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80896254
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 175652021
4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 116978157
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541

Frequently Asked Questions

What is the IUPAC name of cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid?
The IUPAC name of cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid (CID 176680712) is cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid.
What is the SMILES notation for cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid?
The canonical SMILES for cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid is C1CCC1.C=Cc1nccc(N(C)C2CCC(O)CC2)n1.OP.
What is the InChIKey of cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid?
The InChIKey is BJCPEZXWIRSNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C4H8.H3OP/c1-3-12-14-9-8-13(15-12)16(2)10-4-6-11(17)7-5-10;1-2-4-3-1;1-2/h3,8-11,17H,1,4-7H2,2H3;1-4H2;1H,2H2.
What are the key properties of cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid?
cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid has a molecular weight of 339.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid is sourced from PubChem (CID 176680712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).