4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine

C16H20N4O2 — CID 56798618

IUPAC4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-21-15-6-7-17-16(19-15)18-12-13-2-4-14(5-3-13)20-8-10-22-11-9-20/h2-7H,8-12H2,1H3,(H,17,18,19)
InChIKeyGISSSAIFBVDTGC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.93
Rot. Bonds5

About 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine

4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine (PubChem CID 56798618) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine
PubChem CID56798618
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-21-15-6-7-17-16(19-15)18-12-13-2-4-14(5-3-13)20-8-10-22-11-9-20/h2-7H,8-12H2,1H3,(H,17,18,19)
InChIKeyGISSSAIFBVDTGC-UHFFFAOYSA-N
XLogP1.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine (CID 56798618) is 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine is COc1ccnc(NCc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is GISSSAIFBVDTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-21-15-6-7-17-16(19-15)18-12-13-2-4-14(5-3-13)20-8-10-22-11-9-20/h2-7H,8-12H2,1H3,(H,17,18,19).
What are the key properties of 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine?
4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 300.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56798618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).