ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate

C13H20N4O3 — CID 54233702

IUPACethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate
SMILESCCOC(=O)N=c1nc(N2CCCCC2)cc(C)n1O
InChIInChI=1S/C13H20N4O3/c1-3-20-13(18)15-12-14-11(9-10(2)17(12)19)16-7-5-4-6-8-16/h9,19H,3-8H2,1-2H3
InChIKeyFVVLDLPHNZRREB-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.48
Rot. Bonds2

About ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate

ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate (PubChem CID 54233702) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate
PubChem CID54233702
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate
SMILESCCOC(=O)N=c1nc(N2CCCCC2)cc(C)n1O
InChIInChI=1S/C13H20N4O3/c1-3-20-13(18)15-12-14-11(9-10(2)17(12)19)16-7-5-4-6-8-16/h9,19H,3-8H2,1-2H3
InChIKeyFVVLDLPHNZRREB-UHFFFAOYSA-N
XLogP1.48
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[6-(ethoxycarbonylamino)-1-hydroxy-4-pyrrolidin-1-ylpyrimidin-2-ylidene]carbamate
CID 54096826
ethyl 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 142704975
3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine
CID 22723702
ethyl N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate
CID 70436938
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
ethyl 4-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109363656
ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 166306315
ethyl 3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-piperidin-1-ylpyrimidin-2-yl]propanoate
CID 143341240
ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868961
1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)propan-1-one
CID 102546217
2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 58336216
ethyl 2-[[1-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20895443

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate?
The IUPAC name of ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate (CID 54233702) is ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate.
What is the SMILES notation for ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate?
The canonical SMILES for ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate is CCOC(=O)N=c1nc(N2CCCCC2)cc(C)n1O.
What is the InChIKey of ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate?
The InChIKey is FVVLDLPHNZRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-13(18)15-12-14-11(9-10(2)17(12)19)16-7-5-4-6-8-16/h9,19H,3-8H2,1-2H3.
What are the key properties of ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate?
ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate has a molecular weight of 280.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-hydroxy-6-methyl-4-piperidin-1-ylpyrimidin-2-ylidene)carbamate is sourced from PubChem (CID 54233702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).