dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane

C26H48N4O2 — CID 91566011

IUPACdimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane
SMILESCC.CC.CC.COCOC.Cc1cc(N2CCCCC2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H22N4.C3H8O2.3C2H6/c1-14-13-16(21-11-7-4-8-12-21)19-17(18-14)20(2)15-9-5-3-6-10-15;1-4-3-5-2;3*1-2/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;3H2,1-2H3;3*1-2H3
InChIKeyQLOVRMALFIZDQY-UHFFFAOYSA-N
MW448.70 g/mol
LogP6.86
Rot. Bonds5

About dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane

dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane (PubChem CID 91566011) has the molecular formula C26H48N4O2 and a molecular weight of 448.70 g/mol. Its IUPAC name is dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane.

Molecular Properties

Compound Namedimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane
PubChem CID91566011
Molecular FormulaC26H48N4O2
Molecular Weight448.70 g/mol
Exact Mass448.38
IUPAC Namedimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane
SMILESCC.CC.CC.COCOC.Cc1cc(N2CCCCC2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H22N4.C3H8O2.3C2H6/c1-14-13-16(21-11-7-4-8-12-21)19-17(18-14)20(2)15-9-5-3-6-10-15;1-4-3-5-2;3*1-2/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;3H2,1-2H3;3*1-2H3
InChIKeyQLOVRMALFIZDQY-UHFFFAOYSA-N
XLogP6.86
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.70
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
CID 112913848
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884516
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
4-methyl-N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909304
7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 166291984
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155

Frequently Asked Questions

What is the IUPAC name of dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane?
The IUPAC name of dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane (CID 91566011) is dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane.
What is the SMILES notation for dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane?
The canonical SMILES for dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane is CC.CC.CC.COCOC.Cc1cc(N2CCCCC2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane?
The InChIKey is QLOVRMALFIZDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.C3H8O2.3C2H6/c1-14-13-16(21-11-7-4-8-12-21)19-17(18-14)20(2)15-9-5-3-6-10-15;1-4-3-5-2;3*1-2/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;3H2,1-2H3;3*1-2H3.
What are the key properties of dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane?
dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane has a molecular weight of 448.70 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane is sourced from PubChem (CID 91566011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).