5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

C19H20F2N6O2 — CID 130357391

IUPAC5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CC4OC[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F
InChIInChI=1S/C19H20F2N6O2/c20-18(21)29-14-3-10(5-23-17(14)22)12-4-16(27-7-15-13(27)8-28-15)25-19(24-12)26-6-9-1-11(26)2-9/h3-5,9,11,13,15,18H,1-2,6-8H2,(H2,22,23)/t9?,11?,13-,15?/m1/s1
InChIKeyNMMIGKBTVBFIKO-DFQMAJLBSA-N
MW402.41 g/mol
LogP1.91
Rot. Bonds5

About 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 130357391) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID130357391
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CC4OC[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F
InChIInChI=1S/C19H20F2N6O2/c20-18(21)29-14-3-10(5-23-17(14)22)12-4-16(27-7-15-13(27)8-28-15)25-19(24-12)26-6-9-1-11(26)2-9/h3-5,9,11,13,15,18H,1-2,6-8H2,(H2,22,23)/t9?,11?,13-,15?/m1/s1
InChIKeyNMMIGKBTVBFIKO-DFQMAJLBSA-N
XLogP1.91
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-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-[5-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methoxy-2-methylpropan-1-one
CID 123614083
5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123637376
5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123912970
1-[(1S,5R)-6-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanol
CID 144739879
4-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(2-fluoroethyl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-propylpyrimidin-2-amine
CID 134505919
5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123252960
3-(difluoromethoxy)-5-[2-(3-fluorocyclobutyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 135188743
5-[2-(1-bicyclo[2.2.2]octanyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 154931395
5-[2-(6,6-difluoro-3-azabicyclo[3.2.0]heptan-3-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 135188749
3-(difluoromethoxy)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-6-[(1S,2S,4S)-2-oxo-2λ4-thia-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 118876379
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 130357327
5-[2-(azetidin-1-yl)-6-(3,4-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123979422

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 130357391) is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(N3CC4OC[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F.
What is the InChIKey of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is NMMIGKBTVBFIKO-DFQMAJLBSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c20-18(21)29-14-3-10(5-23-17(14)22)12-4-16(27-7-15-13(27)8-28-15)25-19(24-12)26-6-9-1-11(26)2-9/h3-5,9,11,13,15,18H,1-2,6-8H2,(H2,22,23)/t9?,11?,13-,15?/m1/s1.
What are the key properties of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 402.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 130357391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).