ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one

C18H30N6O2 — CID 143087727

IUPACethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
SMILESCC.[H]/N=C(\C)c1c(NC)ncnc1NC1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C16H24N6O2.C2H6/c1-10(17)13-14(18-2)19-9-20-15(13)21-11-3-5-12(6-4-11)22-7-8-24-16(22)23;1-2/h9,11-12,17H,3-8H2,1-2H3,(H2,18,19,20,21);1-2H3/b17-10+;
InChIKeyYMBXCULCJBMFMI-LZMXEPDESA-N
MW362.48 g/mol
LogP3.11
Rot. Bonds5

About ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one

ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one (PubChem CID 143087727) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
PubChem CID143087727
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Nameethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
SMILESCC.[H]/N=C(\C)c1c(NC)ncnc1NC1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C16H24N6O2.C2H6/c1-10(17)13-14(18-2)19-9-20-15(13)21-11-3-5-12(6-4-11)22-7-8-24-16(22)23;1-2/h9,11-12,17H,3-8H2,1-2H3,(H2,18,19,20,21);1-2H3/b17-10+;
InChIKeyYMBXCULCJBMFMI-LZMXEPDESA-N
XLogP3.11
TPSA103.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[1-(5,6-Dimethylpyrimidin-4-YL)piperidin-4-YL]-1,3-oxazolidin-2-one
CID 72906954
Tert-butyl 3-[(6-amino-5-propanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 123192941
Tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 126660696
Tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 130331477
tert-butyl (3R)-3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 134531722
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
CID 143087711
2-[[4-[(6-Amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane
CID 143087715
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid
CID 143087731
Tert-butyl 2-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octane-6-carboxylate;ethane
CID 144719060
tert-butyl N-[2-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pentyl]-N-methylcarbamate;ethane
CID 144923728
Tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 145011201
Tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate;ethane
CID 145419903

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
The IUPAC name of ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one (CID 143087727) is ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one is CC.[H]/N=C(\C)c1c(NC)ncnc1NC1CCC(N2CCOC2=O)CC1.
What is the InChIKey of ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
The InChIKey is YMBXCULCJBMFMI-LZMXEPDESA-N. The full InChI is InChI=1S/C16H24N6O2.C2H6/c1-10(17)13-14(18-2)19-9-20-15(13)21-11-3-5-12(6-4-11)22-7-8-24-16(22)23;1-2/h9,11-12,17H,3-8H2,1-2H3,(H2,18,19,20,21);1-2H3/b17-10+;.
What are the key properties of ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one?
ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one has a molecular weight of 362.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143087727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).