4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H19F3N6O — CID 118908140

IUPAC4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN1CCOc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21
InChIInChI=1S/C17H19F3N6O/c1-2-26-5-6-27-13-7-11(8-21-15(13)26)24-16-22-9-12(17(18,19)20)14(25-16)23-10-3-4-10/h7-10H,2-6H2,1H3,(H2,22,23,24,25)
InChIKeySNXCRQROFBPRPD-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.43
Rot. Bonds5

About 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118908140) 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-7-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-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118908140
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-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN1CCOc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21
InChIInChI=1S/C17H19F3N6O/c1-2-26-5-6-27-13-7-11(8-21-15(13)26)24-16-22-9-12(17(18,19)20)14(25-16)23-10-3-4-10/h7-10H,2-6H2,1H3,(H2,22,23,24,25)
InChIKeySNXCRQROFBPRPD-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

(R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine
CID 155803648
8-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxypyridin-3-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645478
5-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluoromethoxy)phenyl)pyrimidine-4,6-diamine
CID 44194781
4-(5-Methoxy-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548371
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049905
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049974
8-(4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049998
8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050047
8-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050100
N-[1-(2-methoxypyridin-4-yl)piperidin-4-yl]-8-[2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050174
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055002

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-7-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-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118908140) is 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-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-7-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-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCN1CCOc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21.
What is the InChIKey of 4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SNXCRQROFBPRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-2-26-5-6-27-13-7-11(8-21-15(13)26)24-16-22-9-12(17(18,19)20)14(25-16)23-10-3-4-10/h7-10H,2-6H2,1H3,(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-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 380.37 g/mol, XLogP of 3.43, 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-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118908140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).