ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate

C20H27N5O3 — CID 112860217

IUPACethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(NCc3ccc(OC)cc3)ncn2)CC1
InChIInChI=1S/C20H27N5O3/c1-3-28-20(26)25-10-8-16(9-11-25)24-19-12-18(22-14-23-19)21-13-15-4-6-17(27-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyWOPAZCCRXREJNX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.13
Rot. Bonds7

About ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 112860217) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID112860217
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Nameethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(NCc3ccc(OC)cc3)ncn2)CC1
InChIInChI=1S/C20H27N5O3/c1-3-28-20(26)25-10-8-16(9-11-25)24-19-12-18(22-14-23-19)21-13-15-4-6-17(27-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyWOPAZCCRXREJNX-UHFFFAOYSA-N
XLogP3.13
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112858584
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522
ethyl 4-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352748
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
ethyl 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 91779196
4-N-(1,1-dioxothiolan-3-yl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860206
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 112860217) is ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(NCc3ccc(OC)cc3)ncn2)CC1.
What is the InChIKey of ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is WOPAZCCRXREJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-28-20(26)25-10-8-16(9-11-25)24-19-12-18(22-14-23-19)21-13-15-4-6-17(27-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112860217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).