2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C20H20F3N5O2 — CID 134170533

IUPAC2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCOCC3)nc(N3CC4CC3=CO4)n2)c1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)13-1-4-24-17(7-13)26-18-9-16(12-2-5-29-6-3-12)25-19(27-18)28-10-15-8-14(28)11-30-15/h1,4,7,9,11-12,15H,2-3,5-6,8,10H2,(H,24,25,26,27)
InChIKeyUUHHAZBAICCUQQ-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 134170533) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID134170533
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCOCC3)nc(N3CC4CC3=CO4)n2)c1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)13-1-4-24-17(7-13)26-18-9-16(12-2-5-29-6-3-12)25-19(27-18)28-10-15-8-14(28)11-30-15/h1,4,7,9,11-12,15H,2-3,5-6,8,10H2,(H,24,25,26,27)
InChIKeyUUHHAZBAICCUQQ-UHFFFAOYSA-N
XLogP3.98
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[2-(3-azabicyclo[3.2.1]octan-3-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 155001360
2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 134434319
2-(3,3-difluoroazetidin-1-yl)-6-[1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 148939649
2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 123767414
6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 134293594
N-[4-[amino(difluoro)methyl]-2-pyridinyl]-2-(2-methylpyrazol-3-yl)-6-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 155001355
4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 126703044
2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-4-yl-N-(4-propan-2-yl-2-pyridinyl)pyrimidin-4-amine;ethane;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740207
4-methyl-6-(2H-triazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 118271576
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200
3-[[4-(trifluoromethyl)-2-pyridinyl]amino]piperidine-2,6-dione
CID 66328290

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 134170533) is 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC(F)(F)c1ccnc(Nc2cc(C3CCOCC3)nc(N3CC4CC3=CO4)n2)c1.
What is the InChIKey of 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is UUHHAZBAICCUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)13-1-4-24-17(7-13)26-18-9-16(12-2-5-29-6-3-12)25-19(27-18)28-10-15-8-14(28)11-30-15/h1,4,7,9,11-12,15H,2-3,5-6,8,10H2,(H,24,25,26,27).
What are the key properties of 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 419.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 134170533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).