6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C18H23FN4O — CID 4691022

IUPAC6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O/c1-14-21-17(15-3-5-16(19)6-4-15)13-18(22-14)20-7-2-8-23-9-11-24-12-10-23/h3-6,13H,2,7-12H2,1H3,(H,20,21,22)
InChIKeyOKOHWKJQRYYGJT-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.73
Rot. Bonds6

About 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 4691022) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID4691022
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O/c1-14-21-17(15-3-5-16(19)6-4-15)13-18(22-14)20-7-2-8-23-9-11-24-12-10-23/h3-6,13H,2,7-12H2,1H3,(H,20,21,22)
InChIKeyOKOHWKJQRYYGJT-UHFFFAOYSA-N
XLogP2.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 4691022) is 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is Cc1nc(NCCCN2CCOCC2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is OKOHWKJQRYYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-14-21-17(15-3-5-16(19)6-4-15)13-18(22-14)20-7-2-8-23-9-11-24-12-10-23/h3-6,13H,2,7-12H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 330.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 4691022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).