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

C20H27N5O2 — CID 112893944

IUPACethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-27-20(26)25-14-10-17(11-15-25)23-19-22-13-9-18(24-19)21-12-8-16-6-4-3-5-7-16/h3-7,9,13,17H,2,8,10-12,14-15H2,1H3,(H2,21,22,23,24)
InChIKeyJODWSIGEKBXSCH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.16
Rot. Bonds7

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

ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 112893944) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
PubChem CID112893944
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Nameethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-27-20(26)25-14-10-17(11-15-25)23-19-22-13-9-18(24-19)21-12-8-16-6-4-3-5-7-16/h3-7,9,13,17H,2,8,10-12,14-15H2,1H3,(H2,21,22,23,24)
InChIKeyJODWSIGEKBXSCH-UHFFFAOYSA-N
XLogP3.16
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112873698
ethyl 4-[[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112920180
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112889137
ethyl 4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112883526
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 80772893
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-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
ethyl 4-[[4-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109295773
ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112933135
ethyl 4-[[2-(2,6-diethylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897761

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 112893944) is ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nccc(NCCc3ccccc3)n2)CC1.
What is the InChIKey of ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is JODWSIGEKBXSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-27-20(26)25-14-10-17(11-15-25)23-19-22-13-9-18(24-19)21-12-8-16-6-4-3-5-7-16/h3-7,9,13,17H,2,8,10-12,14-15H2,1H3,(H2,21,22,23,24).
What are the key properties of ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112893944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).