ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate

C19H24ClN5O2 — CID 19142114

IUPACethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(NCc3ccc(Cl)cc3)c2N)CC1
InChIInChI=1S/C19H24ClN5O2/c1-2-27-19(26)14-7-9-25(10-8-14)18-16(21)17(23-12-24-18)22-11-13-3-5-15(20)6-4-13/h3-6,12,14H,2,7-11,21H2,1H3,(H,22,23,24)
InChIKeyADIUOSRVDKCVFU-UHFFFAOYSA-N
MW389.89 g/mol
LogP3.10
Rot. Bonds6

About ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 19142114) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID19142114
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Nameethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(NCc3ccc(Cl)cc3)c2N)CC1
InChIInChI=1S/C19H24ClN5O2/c1-2-27-19(26)14-7-9-25(10-8-14)18-16(21)17(23-12-24-18)22-11-13-3-5-15(20)6-4-13/h3-6,12,14H,2,7-11,21H2,1H3,(H,22,23,24)
InChIKeyADIUOSRVDKCVFU-UHFFFAOYSA-N
XLogP3.10
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142167
1-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19142653
ethyl 1-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142069
ethyl 1-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142097
1-[5-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 141107722
ethyl 1-[5-amino-6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142183
ethyl 1-[5-amino-6-(3-ethoxycarbonylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142157
ethyl 1-[5-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19135200
methyl 1-[5-amino-6-(hexadecylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142484
methyl 1-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149857
ethyl 1-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitrosopyrimidin-4-yl]piperidine-4-carboxylate
CID 88960249
methyl 1-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 22534674

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate (CID 19142114) is ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc(NCc3ccc(Cl)cc3)c2N)CC1.
What is the InChIKey of ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is ADIUOSRVDKCVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-2-27-19(26)14-7-9-25(10-8-14)18-16(21)17(23-12-24-18)22-11-13-3-5-15(20)6-4-13/h3-6,12,14H,2,7-11,21H2,1H3,(H,22,23,24).
What are the key properties of ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 389.89 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 19142114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).