ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate

C13H21N5O2 — CID 80772893

IUPACethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccnc(NC)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-3-20-13(19)18-8-5-10(6-9-18)16-11-4-7-15-12(14-2)17-11/h4,7,10H,3,5-6,8-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyWRIUMXAUPZONAZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.55
Rot. Bonds4

About ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 80772893) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID80772893
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Nameethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccnc(NC)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-3-20-13(19)18-8-5-10(6-9-18)16-11-4-7-15-12(14-2)17-11/h4,7,10H,3,5-6,8-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyWRIUMXAUPZONAZ-UHFFFAOYSA-N
XLogP1.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883388
ethyl 4-[[2-(butylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883042
ethyl 4-[[2-(2,6-diethylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897761
ethyl 4-[[2-(diethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897729
ethyl 4-[[2-(2,5-dimethylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897749
ethyl 4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112883526
ethyl 4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 112884037
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112888116
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112889137
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112893944

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 80772893) is ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccnc(NC)n2)CC1.
What is the InChIKey of ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is WRIUMXAUPZONAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-20-13(19)18-8-5-10(6-9-18)16-11-4-7-15-12(14-2)17-11/h4,7,10H,3,5-6,8-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 80772893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).