2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine

C19H24N4O2P- — CID 176680717

IUPAC2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine
SMILES[H]N=P([O-])(OC1CCC(N(C)c2ccnc(C=C)n2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2P/c1-3-18-21-14-13-19(22-18)23(2)15-9-11-16(12-10-15)25-26(20,24)17-7-5-4-6-8-17/h3-8,13-16H,1,9-12H2,2H3,(H-,20,24)/q-1
InChIKeyABGAMASCWDGQAE-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.18
Rot. Bonds6

About 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine

2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine (PubChem CID 176680717) has the molecular formula C19H24N4O2P- and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine
PubChem CID176680717
Molecular FormulaC19H24N4O2P-
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine
SMILES[H]N=P([O-])(OC1CCC(N(C)c2ccnc(C=C)n2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2P/c1-3-18-21-14-13-19(22-18)23(2)15-9-11-16(12-10-15)25-26(20,24)17-7-5-4-6-8-17/h3-8,13-16H,1,9-12H2,2H3,(H-,20,24)/q-1
InChIKeyABGAMASCWDGQAE-UHFFFAOYSA-N
XLogP3.18
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
cyclobutane;4-[(2-ethenylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol;phosphinous acid
CID 176680712
S-[2-[4-[[4-[cyclobutyl(oxido)phosphinimyl]oxycyclohexyl]-methylamino]pyrimidin-2-yl]ethyl]thiohydroxylamine
CID 176680875
2-ethenyl-N,N-dimethylpyrimidin-4-amine
CID 176680804
4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
CID 70499830
N-(1,1-dioxothian-4-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 75424402
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010
N-cyclopropyl-N-methylpyridin-2-amine;hydrochloride
CID 69197423
[4-[methyl-[2-(2-sulfanylethyl)pyrimidin-4-yl]amino]cyclohexyl]oxyphosphinous acid;propane
CID 176680897
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172902469

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine?
The IUPAC name of 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine (CID 176680717) is 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine is [H]N=P([O-])(OC1CCC(N(C)c2ccnc(C=C)n2)CC1)c1ccccc1.
What is the InChIKey of 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine?
The InChIKey is ABGAMASCWDGQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2P/c1-3-18-21-14-13-19(22-18)23(2)15-9-11-16(12-10-15)25-26(20,24)17-7-5-4-6-8-17/h3-8,13-16H,1,9-12H2,2H3,(H-,20,24)/q-1.
What are the key properties of 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine?
2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine has a molecular weight of 371.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-methyl-N-[4-[oxido(phenyl)phosphinimyl]oxycyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 176680717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).