ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate

C21H27N5O2 — CID 112933135

IUPACethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)CC1
InChIInChI=1S/C21H27N5O2/c1-2-28-21(27)26-12-10-17(11-13-26)22-19-14-18(15-6-4-3-5-7-15)24-20(25-19)23-16-8-9-16/h3-7,14,16-17H,2,8-13H2,1H3,(H2,22,23,24,25)
InChIKeyWYEBEOLCQAOGSY-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.75
Rot. Bonds6

About ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 112933135) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID112933135
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Nameethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)CC1
InChIInChI=1S/C21H27N5O2/c1-2-28-21(27)26-12-10-17(11-13-26)22-19-14-18(15-6-4-3-5-7-15)24-20(25-19)23-16-8-9-16/h3-7,14,16-17H,2,8-13H2,1H3,(H2,22,23,24,25)
InChIKeyWYEBEOLCQAOGSY-UHFFFAOYSA-N
XLogP3.75
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112935027
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112920180
ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
ethyl 4-[[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112873698
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[[2-phenyl-6-(prop-2-enylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112879628
ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 166442180
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 112956940
ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112893944
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112908326

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 112933135) is ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)CC1.
What is the InChIKey of ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is WYEBEOLCQAOGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-28-21(27)26-12-10-17(11-13-26)22-19-14-18(15-6-4-3-5-7-15)24-20(25-19)23-16-8-9-16/h3-7,14,16-17H,2,8-13H2,1H3,(H2,22,23,24,25).
What are the key properties of ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112933135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).