ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate

C14H20N4O3 — CID 130405890

IUPACethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(NC2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C14H20N4O3/c1-3-21-14(20)12-8-13(16-9-15-12)17-11-4-6-18(7-5-11)10(2)19/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQMBLNFPNAZGNLB-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.08
Rot. Bonds4

About ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate

ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate (PubChem CID 130405890) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
PubChem CID130405890
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(NC2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C14H20N4O3/c1-3-21-14(20)12-8-13(16-9-15-12)17-11-4-6-18(7-5-11)10(2)19/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQMBLNFPNAZGNLB-UHFFFAOYSA-N
XLogP1.08
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352740
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-chloro-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 162458328
6-[(1-acetylpiperidin-4-yl)amino]-N-(3-chloro-2-hydroxypropyl)pyrimidine-4-carboxamide
CID 166672161
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862856
ethyl 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 91779196
ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352750

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate (CID 130405890) is ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate is CCOC(=O)c1cc(NC2CCN(C(C)=O)CC2)ncn1.
What is the InChIKey of ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate?
The InChIKey is QMBLNFPNAZGNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-21-14(20)12-8-13(16-9-15-12)17-11-4-6-18(7-5-11)10(2)19/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate?
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate is sourced from PubChem (CID 130405890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).