4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H19F3N6O — CID 118905879

IUPAC4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN1CC(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)Oc2cccnc21
InChIInChI=1S/C17H19F3N6O/c1-2-26-9-13(27-12-4-3-7-21-15(12)26)24-16-22-8-11(17(18,19)20)14(25-16)23-10-5-6-10/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H2,22,23,24,25)
InChIKeyHFMSLWZJPVSDRG-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.12
Rot. Bonds5

About 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905879) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905879
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN1CC(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)Oc2cccnc21
InChIInChI=1S/C17H19F3N6O/c1-2-26-9-13(27-12-4-3-7-21-15(12)26)24-16-22-8-11(17(18,19)20)14(25-16)23-10-5-6-10/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H2,22,23,24,25)
InChIKeyHFMSLWZJPVSDRG-UHFFFAOYSA-N
XLogP3.12
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905879) is 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCN1CC(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)Oc2cccnc21.
What is the InChIKey of 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HFMSLWZJPVSDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-2-26-9-13(27-12-4-3-7-21-15(12)26)24-16-22-8-11(17(18,19)20)14(25-16)23-10-5-6-10/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 380.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).