5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine

C18H24N4O — CID 72890235

IUPAC5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCC(OC)(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c1-3-14-13-20-17(19)21-16(14)22-11-9-18(23-2,10-12-22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H2,19,20,21)
InChIKeyCXWXKFGEEZBOFG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.76
Rot. Bonds4

About 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine

5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 72890235) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID72890235
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCC(OC)(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c1-3-14-13-20-17(19)21-16(14)22-11-9-18(23-2,10-12-22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H2,19,20,21)
InChIKeyCXWXKFGEEZBOFG-UHFFFAOYSA-N
XLogP2.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine (CID 72890235) is 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine is CCc1cnc(N)nc1N1CCC(OC)(c2ccccc2)CC1.
What is the InChIKey of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is CXWXKFGEEZBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-14-13-20-17(19)21-16(14)22-11-9-18(23-2,10-12-22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 72890235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).