(4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine

C25H27F3N6O2 — CID 162480874

IUPAC(4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CCOc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1)C1=N[C@H](C)CO1
InChIInChI=1S/C25H27F3N6O2/c1-4-34(25-31-15(3)13-36-25)9-10-35-23-20(17-11-14(2)30-19(12-17)22(27)28)21(32-24(29)33-23)16-5-7-18(26)8-6-16/h5-8,11-12,15,22H,4,9-10,13H2,1-3H3,(H2,29,32,33)/t15-/m1/s1
InChIKeyYUCHDFQHAPAUFL-OAHLLOKOSA-N
MW500.53 g/mol
LogP4.65
Rot. Bonds8

About (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine

(4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 162480874) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.53 g/mol. Its IUPAC name is (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID162480874
Molecular FormulaC25H27F3N6O2
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC Name(4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CCOc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1)C1=N[C@H](C)CO1
InChIInChI=1S/C25H27F3N6O2/c1-4-34(25-31-15(3)13-36-25)9-10-35-23-20(17-11-14(2)30-19(12-17)22(27)28)21(32-24(29)33-23)16-5-7-18(26)8-6-16/h5-8,11-12,15,22H,4,9-10,13H2,1-3H3,(H2,29,32,33)/t15-/m1/s1
InChIKeyYUCHDFQHAPAUFL-OAHLLOKOSA-N
XLogP4.65
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine (CID 162480874) is (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine is CCN(CCOc1nc(N)nc(-c2ccc(F)cc2)c1-c1cc(C)nc(C(F)F)c1)C1=N[C@H](C)CO1.
What is the InChIKey of (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YUCHDFQHAPAUFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c1-4-34(25-31-15(3)13-36-25)9-10-35-23-20(17-11-14(2)30-19(12-17)22(27)28)21(32-24(29)33-23)16-5-7-18(26)8-6-16/h5-8,11-12,15,22H,4,9-10,13H2,1-3H3,(H2,29,32,33)/t15-/m1/s1.
What are the key properties of (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine?
(4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 500.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-N-ethyl-4-methyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 162480874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).