ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate

C24H26N4O2 — CID 118016661

IUPACethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2(c3ccccc3)CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H26N4O2/c1-2-30-22(29)19-17-25-23(26-18-19)27-24(20-9-5-3-6-10-20)13-15-28(16-14-24)21-11-7-4-8-12-21/h3-12,17-18H,2,13-16H2,1H3,(H,25,26,27)
InChIKeyMYDIUQRUYYRKCJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.26
Rot. Bonds6

About ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate

ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate (PubChem CID 118016661) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
PubChem CID118016661
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Nameethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2(c3ccccc3)CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H26N4O2/c1-2-30-22(29)19-17-25-23(26-18-19)27-24(20-9-5-3-6-10-20)13-15-28(16-14-24)21-11-7-4-8-12-21/h3-12,17-18H,2,13-16H2,1H3,(H,25,26,27)
InChIKeyMYDIUQRUYYRKCJ-UHFFFAOYSA-N
XLogP4.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate (CID 118016661) is ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2(c3ccccc3)CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate?
The InChIKey is MYDIUQRUYYRKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-30-22(29)19-17-25-23(26-18-19)27-24(20-9-5-3-6-10-20)13-15-28(16-14-24)21-11-7-4-8-12-21/h3-12,17-18H,2,13-16H2,1H3,(H,25,26,27).
What are the key properties of ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate?
ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,4-diphenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 118016661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).