2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine

C16H20N4O — CID 46891060

IUPAC2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESc1ccc(CCNc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)
InChIKeyQCZVHPUPIBZBLH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds5

About 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine

2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 46891060) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID46891060
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESc1ccc(CCNc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)
InChIKeyQCZVHPUPIBZBLH-UHFFFAOYSA-N
XLogP1.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine (CID 46891060) is 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine is c1ccc(CCNc2ccnc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is QCZVHPUPIBZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19).
What are the key properties of 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine?
2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 46891060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).