5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine

C19H23N5O — CID 53341481

IUPAC5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC(OC)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H23N5O/c1-3-17-16(6-4-14-5-7-18(20)21-12-14)19(23-13-22-17)24-10-8-15(25-2)9-11-24/h5,7,12-13,15H,3,8-11H2,1-2H3,(H2,20,21)
InChIKeyRKRNEPOVPHARMC-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.03
Rot. Bonds3

About 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 53341481) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID53341481
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC(OC)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H23N5O/c1-3-17-16(6-4-14-5-7-18(20)21-12-14)19(23-13-22-17)24-10-8-15(25-2)9-11-24/h5,7,12-13,15H,3,8-11H2,1-2H3,(H2,20,21)
InChIKeyRKRNEPOVPHARMC-UHFFFAOYSA-N
XLogP2.03
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 53341481) is 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(N2CCC(OC)CC2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is RKRNEPOVPHARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-17-16(6-4-14-5-7-18(20)21-12-14)19(23-13-22-17)24-10-8-15(25-2)9-11-24/h5,7,12-13,15H,3,8-11H2,1-2H3,(H2,20,21).
What are the key properties of 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-ethyl-6-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 53341481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).