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

C17H23N5O3 — CID 112889137

IUPACethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccc(NCc3ccco3)n2)CC1
InChIInChI=1S/C17H23N5O3/c1-2-24-17(23)22-9-6-13(7-10-22)20-16-18-8-5-15(21-16)19-12-14-4-3-11-25-14/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H2,18,19,20,21)
InChIKeyCFYGSMVSUBTRIJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.71
Rot. Bonds6

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

ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 112889137) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
PubChem CID112889137
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Nameethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccc(NCc3ccco3)n2)CC1
InChIInChI=1S/C17H23N5O3/c1-2-24-17(23)22-9-6-13(7-10-22)20-16-18-8-5-15(21-16)19-12-14-4-3-11-25-14/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H2,18,19,20,21)
InChIKeyCFYGSMVSUBTRIJ-UHFFFAOYSA-N
XLogP2.71
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112858584
ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112893944
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 80772893
ethyl 4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112883526
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109155401
ethyl 4-[[2-(butylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883042
ethyl 4-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883388
ethyl 4-[[2-(2,6-diethylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897761
ethyl 4-[[4-(3,4-difluoroanilino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897878
ethyl 4-[[4-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109295773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 112889137) is ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nccc(NCc3ccco3)n2)CC1.
What is the InChIKey of ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is CFYGSMVSUBTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-2-24-17(23)22-9-6-13(7-10-22)20-16-18-8-5-15(21-16)19-12-14-4-3-11-25-14/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H2,18,19,20,21).
What are the key properties of ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112889137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).