5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine

C24H27FN6O2 — CID 51040929

IUPAC5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine
SMILESNc1nc(-c2ccc(N3CCOCC3)cn2)nc(N2CCOCC2)c1Cc1ccccc1F
InChIInChI=1S/C24H27FN6O2/c25-20-4-2-1-3-17(20)15-19-22(26)28-23(29-24(19)31-9-13-33-14-10-31)21-6-5-18(16-27-21)30-7-11-32-12-8-30/h1-6,16H,7-15H2,(H2,26,28,29)
InChIKeyOMMBAJCYIYKXGU-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.52
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine

5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 51040929) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine
PubChem CID51040929
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine
SMILESNc1nc(-c2ccc(N3CCOCC3)cn2)nc(N2CCOCC2)c1Cc1ccccc1F
InChIInChI=1S/C24H27FN6O2/c25-20-4-2-1-3-17(20)15-19-22(26)28-23(29-24(19)31-9-13-33-14-10-31)21-6-5-18(16-27-21)30-7-11-32-12-8-30/h1-6,16H,7-15H2,(H2,26,28,29)
InChIKeyOMMBAJCYIYKXGU-UHFFFAOYSA-N
XLogP2.52
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine (CID 51040929) is 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine is Nc1nc(-c2ccc(N3CCOCC3)cn2)nc(N2CCOCC2)c1Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is OMMBAJCYIYKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c25-20-4-2-1-3-17(20)15-19-22(26)28-23(29-24(19)31-9-13-33-14-10-31)21-6-5-18(16-27-21)30-7-11-32-12-8-30/h1-6,16H,7-15H2,(H2,26,28,29).
What are the key properties of 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 450.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-6-morpholin-4-yl-2-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 51040929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).