N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)

C16H17F6N5O5 — CID 118746401

IUPACN-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCc2onc(CNc3ncccn3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15N5O.2C2HF3O2/c1-17-6-3-11-9(8-17)10(16-18-11)7-15-12-13-4-2-5-14-12;2*3-2(4,5)1(6)7/h2,4-5H,3,6-8H2,1H3,(H,13,14,15);2*(H,6,7)
InChIKeyUULADLJKOZQAND-UHFFFAOYSA-N
MW473.33 g/mol
LogP2.33
Rot. Bonds3

About N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)

N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746401) has the molecular formula C16H17F6N5O5 and a molecular weight of 473.33 g/mol. Its IUPAC name is N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746401
Molecular FormulaC16H17F6N5O5
Molecular Weight473.33 g/mol
Exact Mass473.11
IUPAC NameN-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCc2onc(CNc3ncccn3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15N5O.2C2HF3O2/c1-17-6-3-11-9(8-17)10(16-18-11)7-15-12-13-4-2-5-14-12;2*3-2(4,5)1(6)7/h2,4-5H,3,6-8H2,1H3,(H,13,14,15);2*(H,6,7)
InChIKeyUULADLJKOZQAND-UHFFFAOYSA-N
XLogP2.33
TPSA141.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 118746401) is N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) is CN1CCc2onc(CNc3ncccn3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UULADLJKOZQAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O.2C2HF3O2/c1-17-6-3-11-9(8-17)10(16-18-11)7-15-12-13-4-2-5-14-12;2*3-2(4,5)1(6)7/h2,4-5H,3,6-8H2,1H3,(H,13,14,15);2*(H,6,7).
What are the key properties of N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 473.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).