6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine

C23H23N5O — CID 11728745

IUPAC6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine
SMILESNc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCc1ccccc1
InChIInChI=1S/C23H23N5O/c24-23-20(9-6-18-4-2-1-3-5-18)21(26-17-27-23)10-7-19-8-11-22(25-16-19)28-12-14-29-15-13-28/h1-5,8,11,16-17H,6,9,12-15H2,(H2,24,26,27)
InChIKeyCUFOJOONYVOYAY-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.48
Rot. Bonds4

About 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine

6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 11728745) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine
PubChem CID11728745
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine
SMILESNc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCc1ccccc1
InChIInChI=1S/C23H23N5O/c24-23-20(9-6-18-4-2-1-3-5-18)21(26-17-27-23)10-7-19-8-11-22(25-16-19)28-12-14-29-15-13-28/h1-5,8,11,16-17H,6,9,12-15H2,(H2,24,26,27)
InChIKeyCUFOJOONYVOYAY-UHFFFAOYSA-N
XLogP2.48
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.48
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 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine (CID 11728745) is 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine is Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCc1ccccc1.
What is the InChIKey of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is CUFOJOONYVOYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-23-20(9-6-18-4-2-1-3-5-18)21(26-17-27-23)10-7-19-8-11-22(25-16-19)28-12-14-29-15-13-28/h1-5,8,11,16-17H,6,9,12-15H2,(H2,24,26,27).
What are the key properties of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine?
6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 11728745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).