2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one

C19H19F3N4O3 — CID 58448598

IUPAC2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
SMILESCc1nc(C(=O)Cc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C(F)(F)F)o1
InChIInChI=1S/C19H19F3N4O3/c1-10-24-15(16(29-10)19(20,21)22)13(27)8-11-5-4-6-12(7-11)18(2)9-14(28)26(3)17(23)25-18/h4-7H,8-9H2,1-3H3,(H2,23,25)
InChIKeyALIUERYXAVAZOR-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.82
Rot. Bonds4

About 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one (PubChem CID 58448598) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
PubChem CID58448598
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
SMILESCc1nc(C(=O)Cc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C(F)(F)F)o1
InChIInChI=1S/C19H19F3N4O3/c1-10-24-15(16(29-10)19(20,21)22)13(27)8-11-5-4-6-12(7-11)18(2)9-14(28)26(3)17(23)25-18/h4-7H,8-9H2,1-3H3,(H2,23,25)
InChIKeyALIUERYXAVAZOR-UHFFFAOYSA-N
XLogP2.82
TPSA101.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one (CID 58448598) is 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one is Cc1nc(C(=O)Cc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C(F)(F)F)o1.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
The InChIKey is ALIUERYXAVAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-10-24-15(16(29-10)19(20,21)22)13(27)8-11-5-4-6-12(7-11)18(2)9-14(28)26(3)17(23)25-18/h4-7H,8-9H2,1-3H3,(H2,23,25).
What are the key properties of 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one has a molecular weight of 408.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 58448598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).