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

C24H25N5O — CID 10883874

IUPAC6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine
SMILESNc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1ccccc1
InChIInChI=1S/C24H25N5O/c25-24-21(8-4-7-19-5-2-1-3-6-19)22(27-18-28-24)11-9-20-10-12-23(26-17-20)29-13-15-30-16-14-29/h1-3,5-6,10,12,17-18H,4,7-8,13-16H2,(H2,25,27,28)
InChIKeyKYHBBKUJRQGLDD-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.87
Rot. Bonds5

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

6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine (PubChem CID 10883874) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine
PubChem CID10883874
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine
SMILESNc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1ccccc1
InChIInChI=1S/C24H25N5O/c25-24-21(8-4-7-19-5-2-1-3-6-19)22(27-18-28-24)11-9-20-10-12-23(26-17-20)29-13-15-30-16-14-29/h1-3,5-6,10,12,17-18H,4,7-8,13-16H2,(H2,25,27,28)
InChIKeyKYHBBKUJRQGLDD-UHFFFAOYSA-N
XLogP2.87
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.87
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-(3-phenylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine (CID 10883874) is 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine is Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1ccccc1.
What is the InChIKey of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine?
The InChIKey is KYHBBKUJRQGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c25-24-21(8-4-7-19-5-2-1-3-6-19)22(27-18-28-24)11-9-20-10-12-23(26-17-20)29-13-15-30-16-14-29/h1-3,5-6,10,12,17-18H,4,7-8,13-16H2,(H2,25,27,28).
What are the key properties of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine?
6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]-5-(3-phenylpropyl)pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 2.87, 5 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-(3-phenylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 10883874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).