4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C16H20N4O — CID 734491

IUPAC4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C16H20N4O/c1-12-11-13(2)18-16(17-12)19-14-3-5-15(6-4-14)20-7-9-21-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyKLHRZPXTRWTDOT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.67
Rot. Bonds3

About 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 734491) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID734491
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C16H20N4O/c1-12-11-13(2)18-16(17-12)19-14-3-5-15(6-4-14)20-7-9-21-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyKLHRZPXTRWTDOT-UHFFFAOYSA-N
XLogP2.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 734491) is 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Cc1cc(C)nc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is KLHRZPXTRWTDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-11-13(2)18-16(17-12)19-14-3-5-15(6-4-14)20-7-9-21-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 734491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).